SCHEMBL177165

SCHEMBL177165

C[C](C(N)=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
MAPT P10636 3/20 0.56
TDP1 Q9NUW8 3/20 0.56
CYP3A4 P08684 3/20 0.56
CYP2C19 P33261 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
POLB P06746 1/20 0.56
PARP1 P09874 1/20 0.56
RECQL P46063 1/20 0.56
BLM P54132 1/20 0.56
PMP22 Q01453 1/20 0.56
HSD17B10 Q99714 1/20 0.56
CES1 P23141 5/20 0.52
CES2 O00748 4/20 0.52
GAA P10253 1/20 0.50
ALDH1A1 P00352 4/20 0.48
LMNA P02545 1/20 0.48
DAO P14920 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
F2 P00734 1/20 0.44

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
SCHEMBL4353525 0.79 CES1 (0.64) TSHRMAPTTDP1CYP3A4CYP2C19
SCHEMBL4781088 0.79 CES1 (0.56) TSHRMAPTTDP1CYP3A4CYP2C19
SCHEMBL4744670 0.78 TSHR (0.54) TSHRMAPTTDP1CYP3A4CYP2C19
SCHEMBL4744665 0.78 TSHR (0.54) TSHRMAPTTDP1CYP3A4CYP2C19
Acetophenone SCHEMBL27405800 0.78 MAPT (0.58) TSHRMAPTTDP1CYP3A4CYP2C19
SCHEMBL3281774 0.78 CES2 (0.52) TSHRMAPTTDP1CYP3A4CYP2C19
Acetophenone SCHEMBL11597325 0.77 MAPT (0.62) TSHRMAPTTDP1CYP3A4CYP2C19
Acetophenone SCHEMBL2843920 0.77 MAPT (0.62) TSHRMAPTTDP1CYP3A4CYP2C19
Benzamide SCHEMBL7844859 0.77 PARP1 (0.84) TSHRMAPTTDP1CYP3A4CYP2C19
SCHEMBL5956858 0.77 CES2 (0.68) TSHRMAPTTDP1CYP3A4CYP2C19

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 221 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP claimed
EP-2906559-B1 AZAINDOLINES HOFFMANN LA ROCHE (CH) 2017-02-08 EP claimed
US-9309248-B2 Azaindolines HOFFMANN-LA ROCHE INC. (US) 2016-04-12 US claimed
US-20150266879-A1 AZAINDOLINES HOFFMANN-LA ROCHE INC. 2015-09-24 US claimed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US claimed
EP-1904503-B1 1H-THIENO[2,3-C]-PYRAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2013-11-06 EP claimed
US-20130165412-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2013-06-27 US claimed
US-8378096-B2 Hexahydro-cycloheptapyrazole cannabinoid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-19 US claimed
US-20120214766-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2012-08-23 US claimed
EP-1937259-B1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-11-23 EP claimed
US-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-01-27 US claimed
US-20050004367-A1 Sulfonamide derivatives DU DANIEL Y (US) 2005-01-06 US claimed
US-20040259887-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-12-23 US claimed
US-20040235926-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC. 2004-11-25 US claimed
WO-2004098589-A1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARMACEUTICALS, INC. (US) 2004-11-18 WO claimed
US-20040180902-A1 3-Substituted quinoline-4-carboxamide derivatives as nk-3 and nk-2 receptor antagonists SMITHKLINE BEECHAM S.P.A. (IT) 2004-09-16 US claimed
US-20040102492-A1 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-05-27 US claimed
US-20020132806-A1 7-[(4'-trifluoromethyl-biphenyl-2-carbonyl)amino]-quinoline-3-carboxylic acid amides, and methods of inhibiting the secretion of apolipoprotein B RUGGERI ROGER (US) 2002-09-19 US claimed
US-6369075-B1 7[4′-trifluoromethyl-biphenyl-2-carbonyl)amino]-quinoline-3-carboxylic acid amides, and method of inhibiting the secretion of apolipoprotein B PFIZER, INC. 2002-04-09 US claimed
EP-1099701-A1 7-[(4'-Trifluoromethyl-biphenyl-2-carbonyl)amino]-quinoline-3-carboxylic acid amides, and methods of inhibiting the secretion of apolipoprotein B Pfizer Products Inc. (US) 2001-05-16 EP claimed

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-20120214766-A1 CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, TRPV1 TSHR 1295/4885MAPT 627/4885TDP1 2102/4885
US-20040180902-A1 3-Substituted quinoline-4-carboxamide derivatives as nk-3 and nk-2 receptor antagonists HRH4, HRH2, HRH3 TSHR 733/4885MAPT 4875/4885TDP1 4213/4885
US-20150266879-A1 AZAINDOLINES AZI2, H1-5, CCNY TSHR 512/4885MAPT 4852/4885TDP1 951/4885
US-20040259887-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 TSHR 503/4885MAPT 2827/4885TDP1 4721/4885
US-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists BDKRB1, BDKRB2, BRS3 TSHR 898/4885MAPT 2597/4885TDP1 3017/4885
US-20050004367-A1 Sulfonamide derivatives AR, SULT2A1, SHBG TSHR 660/4885MAPT 3401/4885TDP1 3630/4885
US-20040102492-A1 Cytokine inhibitors IL1A, IL1B, IL1RN TSHR 2317/4885MAPT 3383/4885TDP1 4453/4885
US-20020132806-A1 7-[(4'-trifluoromethyl-biphenyl-2-carbonyl)amino]-quinoline-3-carboxylic acid amides, and methods of inhibiting the secretion of apolipoprotein B APOB, CETP, PNLIP TSHR 1883/4885MAPT 4189/4885TDP1 3057/4885
US-20040235926-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 TSHR 518/4885MAPT 2665/4885TDP1 4689/4885
US-20130165412-A1 CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, TRPV1 TSHR 1295/4885MAPT 627/4885TDP1 2102/4885

“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.