SCHEMBL5578046

SCHEMBL5578046

COc1ccc([N+](=O)[O-])cc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.53
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PTGS2 P35354 3/20 0.47
CYP19A1 P11511 2/20 0.47
LMNA P02545 3/20 0.46
POLB P06746 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
PKM P14618 1/20 0.45
KCNJ1 P48048 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
MAPT P10636 2/20 0.43
CYP2C9 P11712 2/20 0.43
TSHR P16473 2/20 0.43
MAPK1 P28482 2/20 0.43
NPC1 O15118 1/20 0.43
CYP2D6 P10635 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6922025 0.84 HTR2A (0.40) HTTTDP1ALDH1A1HPGDL3MBTL1
SCHEMBL6161949 0.83 HTT (0.60) HTTTDP1ALDH1A1HPGDL3MBTL1
SCHEMBL376853 0.82 HSPB1 (0.47) TDP1ALDH1A1HPGDL3MBTL1LMNA
SCHEMBL8616810 0.82 HSPB1 (0.51) HTTTDP1ALDH1A1HPGDLMNA
SCHEMBL14511816 0.82 PDGFRB (0.42) HTTTDP1ALDH1A1HPGDL3MBTL1
SCHEMBL6686530 0.80 POLB (0.45) HTTALDH1A1HPGDL3MBTL1LMNA
SCHEMBL12777011 0.79 ALDH1A1 (0.46) TDP1ALDH1A1HPGDLMNAPOLB
SCHEMBL527567 0.79 HTT (0.72) HTTTDP1ALDH1A1HPGDPTGS2
SCHEMBL29441283 0.79 HTT (0.72) HTTTDP1ALDH1A1HPGDPTGS2
SCHEMBL3550146 0.79 HTT (0.58) HTTTDP1ALDH1A1HPGDL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230277505-A1 DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2023-09-07 US disclosed
US-20200397755-A1 DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2020-12-24 US disclosed
US-20180169070-A1 DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2018-06-21 US disclosed
US-9775829-B2 Diaryl and arylheteroaryl urea derivatives as modulators of the 5-HT2A serotonin receptor useful for the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2017-10-03 US disclosed
US-20160374990-A1 DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2016-12-29 US disclosed
US-9273035-B2 Diaryl and arylheteroaryl urea derivatives as modulators of the 5-HT2A serotonin receptor useful for the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2016-03-01 US disclosed
US-20150073141-A1 DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2015-03-12 US disclosed
US-8871797-B2 Diaryl and arylheteroaryl urea derivatives as modulators of the 5-HT2A serotonin receptor useful for the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2014-10-28 US disclosed
US-8754238-B2 Diaryl and arylheteroaryl urea derivatives as modulators of the 5-HT2A serotonin receptor useful for the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2014-06-17 US disclosed
US-20130237541-A1 DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2013-09-12 US disclosed
US-20070078134-A1 Treating sleep disorders insomnia; 1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(4-chloro-phenyl)-urea; restless leg syndrome, cardiovascular disorders, reducing blood clot ARENA PHARMACEUTICALS (US) 2007-04-05 US disclosed
US-20070072857-A1 Treating sleep disorders insomnia; 1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(4-chloro-phenyl)-urea; restless leg syndrome, cardiovascular disorders, reducing blood clot ARENA PHARMACEUTICALS (US) 2007-03-29 US disclosed
US-20060229335-A1 Diarylamine and arylheteroarylamine pyrazole derivatives as modulators of 5ht2a ARENA PHARMACEUTICALS, INC. 2006-10-12 US disclosed
EP-1695966-A1 Diaryl and arylheteroaryl urea derivatives as modulators of the 5-ht2a serotonin receptor useful for the prophylaxis and treatment of disorders related thereto Arena Pharmaceuticals, Inc. (US) 2006-08-30 EP disclosed
EP-1558582-B1 DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2005-12-21 EP disclosed
EP-1558582-A1 DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2005-08-03 EP disclosed
US-20050080124-A1 Treating sleep disorders insomnia; 1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(4-chloro-phenyl)-urea; restless leg syndrome, cardiovascular disorders, reducing blood clot ARENA PHARMACEUTIALS, INC. 2005-04-14 US disclosed
WO-2005012254-A1 DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERTO ARENA PHARMACEUTICALS, INC. (US) 2005-02-10 WO disclosed
WO-2004058722-A1 DIARYLAMINE AND ARYLHETEROARYLAMINE PYRAZOLE DERIVATIVES AS MODULATORS OF 5HT2A ARENA PHARMACEUTICALS, INC. (US) 2004-07-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180169070-A1 DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR2A, HTR2C HTT 388/4885TDP1 2316/4885ALDH1A1 936/4885
US-20200397755-A1 DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR2A, HTR2C HTT 388/4885TDP1 2316/4885ALDH1A1 936/4885
US-20050080124-A1 Treating sleep disorders insomnia; 1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(4-chloro-phenyl)-urea; restless leg syndrome, cardiovascular disorders, reducing blood clot HTR2C, HTR2A, HTR5A HTT 379/4885TDP1 2344/4885ALDH1A1 1648/4885
US-20070078134-A1 Treating sleep disorders insomnia; 1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(4-chloro-phenyl)-urea; restless leg syndrome, cardiovascular disorders, reducing blood clot HTR2C, HTR2A, HTR5A HTT 379/4885TDP1 2344/4885ALDH1A1 1648/4885
US-20070072857-A1 Treating sleep disorders insomnia; 1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(4-chloro-phenyl)-urea; restless leg syndrome, cardiovascular disorders, reducing blood clot HTR2C, HTR2A, HTR5A HTT 379/4885TDP1 2344/4885ALDH1A1 1648/4885
US-20130237541-A1 DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR2A, HTR2C HTT 171/4885TDP1 2487/4885ALDH1A1 731/4885
US-20160374990-A1 DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR2A, HTR2C HTT 172/4885TDP1 2492/4885ALDH1A1 740/4885
US-20150073141-A1 DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR2A, HTR2C HTT 171/4885TDP1 2487/4885ALDH1A1 731/4885
US-20060229335-A1 Diarylamine and arylheteroarylamine pyrazole derivatives as modulators of 5ht2a HTR2A, HTR5A, HTR2C HTT 249/4885TDP1 1891/4885ALDH1A1 725/4885
US-20230277505-A1 DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR2A, HTR2C HTT 388/4885TDP1 2316/4885ALDH1A1 936/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.