SCHEMBL5578060

SCHEMBL5578060

COc1ccc([N+](=O)[O-])cc1-c1cc(C(F)(F)F)nn1C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
TDP1 Q9NUW8 1/20 0.45
PTGS2 P35354 5/20 0.43
PTGS1 P23219 2/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GRK6 P43250 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL5578078 0.80 PTGS2 (0.46) PTGS2PTGS1LMNANPC1RAB9A
SCHEMBL1167021 0.78 HTR2A (0.51) TDP1PTGS2HTTLMNASMN1; SMN2
SCHEMBL5577953 0.77 POLB (0.43) POLBTDP1HTTLMNASMN1; SMN2
SCHEMBL5578126 0.77 POLB (0.43) POLBTDP1HTTLMNASMN1; SMN2
SCHEMBL29718839 0.76 PTGS2 (0.52) PTGS2PTGS1LMNANPC1RAB9A
SCHEMBL20916591 0.76 PTGS2 (0.52) PTGS2PTGS1LMNANPC1RAB9A
SCHEMBL6922025 0.73 HTR2A (0.40) TDP1HTTLMNAL3MBTL1GRK6
SCHEMBL14401081 0.73 TDP1 (0.50) POLBTDP1PTGS2HTTLMNA
SCHEMBL5578244 0.72 HTR2A (0.55) TDP1HTTLMNASMN1; SMN2L3MBTL1
SCHEMBL5578141 0.72 HTR2A (0.55) TDP1HTTLMNASMN1; SMN2NPC1

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 17 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
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

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

For each of this compound's patents that has machine-readable text (9 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 POLB 4671/4885TDP1 2316/4885PTGS2 183/4885
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 POLB 4671/4885TDP1 2316/4885PTGS2 183/4885
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 POLB 3897/4885TDP1 2344/4885PTGS2 320/4885
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 POLB 3897/4885TDP1 2344/4885PTGS2 320/4885
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 POLB 3897/4885TDP1 2344/4885PTGS2 320/4885
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 POLB 4618/4885TDP1 2487/4885PTGS2 164/4885
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 POLB 4621/4885TDP1 2492/4885PTGS2 165/4885
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 POLB 4618/4885TDP1 2487/4885PTGS2 164/4885
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 POLB 4671/4885TDP1 2316/4885PTGS2 183/4885

“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.