SCHEMBL2961042

SCHEMBL2961042

COc1ccc(CN(C=O)Nc2cccc(-c3nn(C)cc3Br)c2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.38
FBP1 P09467 2/20 0.36
MAPT P10636 5/20 0.35
TSHR P16473 4/20 0.35
MAPK1 P28482 4/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
LMNA P02545 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
HSD17B10 Q99714 3/20 0.35
HTT P42858 2/20 0.35
THRB P10828 1/20 0.35
TP53 P04637 2/20 0.35
HPGD P15428 1/20 0.35
XBP1 P17861 1/20 0.35
HTR1E P28566 1/20 0.35
NTSR1 P30989 1/20 0.35
STAT3 P40763 1/20 0.35

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
SCHEMBL2958211 0.91 L3MBTL1 (0.44) L3MBTL1ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL2950487 0.89 L3MBTL1 (0.46) L3MBTL1ALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL2959801 0.86 L3MBTL1 (0.52) L3MBTL1ALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL2958214 0.85 L3MBTL1 (0.47) L3MBTL1ALDH1A1SMN1; SMN2MAPTMAPK1
SCHEMBL6198210 0.82 HTR2A (0.44) ALDH1A1SMN1; SMN2MAPTTSHRMAPK1
SCHEMBL6588992 0.82 SMN1; SMN2 (0.36) L3MBTL1ALDH1A1SMN1; SMN2FBP1MAPT
SCHEMBL2958818 0.82 L3MBTL1 (0.44) L3MBTL1ALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL2955962 0.81 MAPT (0.50) L3MBTL1ALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL6490012 0.79 L3MBTL1 (0.47) L3MBTL1ALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL4859619 0.77 SMN1; SMN2 (0.56) L3MBTL1ALDH1A1SMN1; SMN2FBP1MAPT

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754866-B2 Non-endogenous, constitutively activated human serotonin receptors and small molecule modulators thereof ARENA PHARMACEUTICALS, INC. (US) 2010-07-13 US disclosed
US-20090076254-A1 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF ARENA PHARMACEUTICALS INC. 2009-03-19 US disclosed
US-7368539-B2 Non-endogenous, constitutively activated human serotonin receptors and small molecule modulators thereof ARENA PHARMACEUTICALS, INC. (US) 2008-05-06 US disclosed
US-20050119182-A1 Non-endogenous, constitutively activated human serotonin receptors and small molecule modulators thereof ARENA PHARMACEUTICALS, INC. (US) 2005-06-02 US disclosed
US-6846919-B2 Non-endogenous, constitutively activated human serotonin receptors and small molecule modulators thereof ARENA PHARMACEUTICALS, INC. (US) 2005-01-25 US disclosed
US-20030224442-A1 Non-endogeneous, constitutively activated human serotonin receptors and small molecule modualtors thereof BEHAN DOMINIC P (US) 2003-12-04 US disclosed
US-6541209-B1 Bioassay; identification of compounds as agonists; use in treatment of diseases and disorders that are related to 5-HT2A and or 5-HT2C serotonin receptors ARENA PHARMACEUTICALS, INC. 2003-04-01 US disclosed
EP-1244632-A1 PYRAZOLE DERIVATIVES WHICH MODULATE HUMAN SEROTONIN RECEPTORS Arena Pharmaceuticals, Inc. (US) 2002-10-02 EP disclosed
US-6420541-B1 MEMBRANE PROTEIN FOR USE IN TREATING PSYCHOLOGICAL, NERVOUS SYSTEM, EATING AND SEXUAL DISORDERS ARENA PHARMACEUTICALS, INC. 2002-07-16 US disclosed
WO-2001029008-A1 PYRAZOLE DERIVATIVES WHICH MODULATE HUMAN SEROTONIN RECEPTORS ARENA PHARMACEUTICALS, INC. (US) 2001-04-26 WO disclosed
US-6150393-A N-(3-(4-BROMO-1-METHYLPYRAZOL-3-YL)PHENYL)(PHENYLMETHYLAMINO) -CARBOXAMIDE MODIFIER OF ACTIVITY OF THE SEROTONIN 5-HT 2A; CNS, GASTROINTESTINAL AND CARDIOVASCULAR DISORDERS; ANTIINFLAMMATORY AGENTS; SIDE EFFECT REDUCTION ARENA PHARMACEUTICALS, INC. (US) 2000-11-21 US disclosed
US-6140509-A Non-endogenous, constitutively activated human serotonin receptors and small molecule modulators thereof ARENA PHARMACEUTICALS, INC. (US) 2000-10-31 US disclosed
US-6107324-A CONTROLLING SEROTONIN ARENA PHARMACEUTICALS INC. (US) 2000-08-22 US 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 (3 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-20050119182-A1 Non-endogenous, constitutively activated human serotonin receptors and small molecule modulators thereof HTR2A, HTR3B, HTR3A L3MBTL1 4160/4885ALDH1A1 3499/4885SMN1; SMN2 4539/4885
US-20030224442-A1 Non-endogeneous, constitutively activated human serotonin receptors and small molecule modualtors thereof HTR2A, HTR5A, HTR1A L3MBTL1 2801/4885ALDH1A1 3419/4885SMN1; SMN2 4747/4885
US-20090076254-A1 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF HTR2A, HTR3B, HTR3A L3MBTL1 4160/4885ALDH1A1 3499/4885SMN1; SMN2 4539/4885

“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.