SCHEMBL1252407

SCHEMBL1252407

CCc1coc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.59
MAOB P27338 8/20 0.58
PSMB8 P28062 2/20 0.49
PSMB5 P28074 2/20 0.49
MAOA P21397 2/20 0.47
CYP17A1 P05093 1/20 0.47
CYP19A1 P11511 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
IL4I1 Q96RQ9 1/20 0.46
TP53 P04637 1/20 0.46
KDM4C Q9H3R0 1/20 0.44
PTPN1 P18031 1/20 0.44
SIGMAR1 Q99720 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
SCHEMBL27776938 0.98 CA2 (0.57) CA2MAOBPSMB8PSMB5MAOA
SCHEMBL12655257 0.86 MAOB (0.73) CA2MAOBMAOACYP17A1CYP19A1
SCHEMBL1252500 0.83 CA2 (0.51) CA2MAOBPSMB8PSMB5MAOA
SCHEMBL6511944 0.83 MAOB (0.63) CA2MAOBPSMB8PSMB5MAOA
SCHEMBL3799544 0.80 CA2 (0.49) CA2MAOBPSMB8PSMB5MAOA
SCHEMBL6511946 0.80 MAOB (0.71) CA2MAOBPSMB8PSMB5CYP17A1
SCHEMBL21807603 0.80 MAOB (0.51) CA2MAOBPSMB8PSMB5TP53
SCHEMBL2095984 0.79 MAOB (0.55) CA2MAOBPSMB8PSMB5MAOA
SCHEMBL9634215 0.79 CA2 (0.60) CA2MAOBPSMB8PSMB5MAOA
SCHEMBL1271520 0.79 CA2 (0.59) CA2MAOBPSMB8PSMB5MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240383856-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2024-11-21 US claimed
US-20240317708-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2024-09-26 US claimed
US-20240383856-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2024-11-21 US disclosed
US-11771738-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-03 US disclosed
WO-2023107673-A2 CLEAVABLE DISULFIDE LINKERS AND USES THEREOF Singular Genomics Systems, Inc. (US) 2023-06-15 WO disclosed
US-11584748-B2 Spirocyclic compounds C4 THERAPEUTICS, INC. (US) 2023-02-21 US disclosed
US-20230019060-A1 HETEROCYCLIC COMPOUNDS FOR MEDICAL TREATMENT C4 THERAPEUTICS, INC. (US) 2023-01-19 US disclosed
US-11541059-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2023-01-03 US disclosed
CN-115521325-A Boronic acid derivatives 首药控股(北京)股份有限公司 2022-12-27 CN disclosed
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 US disclosed
CN-114907389-A Boronic acid derivatives 首药控股(北京)股份有限公司 2022-08-16 CN disclosed
EP-1487828-B1 MORPHOLINYL-UREA DERIVATIVES FOR USE OF THE TREATMENT OF INFLAMATORY DISEASES GLAXO GROUP LTD (GB) 2008-11-05 EP disclosed
US-20080221193-A1 3-AMINO CHROMANE DERIVATIVES WYETH (US) 2008-09-11 US disclosed
EP-1828167-A2 ACRYLAMIDE DERIVATIVES AS ANTIBIOTIC AGENTS Affinium Pharmaceuticals, Inc. (CA) 2007-09-05 EP disclosed
WO-2007053131-A2 ACRYLAMIDE DERIVATIVES AS ANTIBIOTIC AGENTS AFFINIUM PHARMACEUTICALS, INC. (CA) 2007-05-10 WO disclosed
US-20070032653-A1 N-{1-(4-(3-bromophenyl)-1H-imidazol-2-yl)-5-methylhexyl}-N-cyclohexylamine; agonists or antagonists of somatostatin receptors; acromegaly, restenosis, Crohn's disease, systemic sclerosis, external and internal pancreatic pseudocysts and ascites, nesidoblastosis, hyperinsulinism, gastrinoma, etc. SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A.S. (FR) 2007-02-08 US disclosed
US-20070027160-A1 5-fluoro-8-(4-(4-(6-methoxyquinolin-8-yl)piperazin-1-yl)piperidin-1-yl)quinoline; central nervous system disorders, such as cognition disorders, anxiety disorders, depression and sexual dysfunction WYETH (US) 2007-02-01 US disclosed
US-20060142265-A1 Compositions comprising multiple bioactive agents, and methods of using the same AFFINIUM PHARMACEUTICALS, INC. (CA) 2006-06-29 US disclosed
WO-2005002500-A2 INHIBITORS OF CORONAVIRUS MERCK & CO., INC. (US) 2005-01-13 WO disclosed
WO-1992017464-A1 PHARMACOLOGICALLY ACTIVE α-AMINOETHYL-2-BENZOFURANE METHANOLS SUBSTITUTED IN POSITION 3 NOE CHRISTIAN R (AT) 1992-10-15 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 (11 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-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CA2 4029/4885MAOB 225/4885PSMB8 3667/4885
US-20230019060-A1 HETEROCYCLIC COMPOUNDS FOR MEDICAL TREATMENT CRBN, MDM2, RBX1 CA2 3658/4885MAOB 2399/4885PSMB8 241/4885
US-20240383856-A1 INHIBITORS OF TRANSGLUTAMINASES TGM2, TGM3, TGM1 CA2 716/4885MAOB 517/4885PSMB8 1852/4885
US-11771738-B2 Endoparasitic depsipeptides VIP, PREP, VIPR1 CA2 1224/4885MAOB 4172/4885PSMB8 1387/4885
US-11541059-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB CA2 2157/4885MAOB 1178/4885PSMB8 3240/4885
US-20070027160-A1 5-fluoro-8-(4-(4-(6-methoxyquinolin-8-yl)piperazin-1-yl)piperidin-1-yl)quinoline; central nervous system disorders, such as cognition disorders, anxiety disorders, depression and sexual dysfunction HTR5A, HTR2C, HTR1D CA2 4877/4885MAOB 315/4885PSMB8 1735/4885
US-20070032653-A1 N-{1-(4-(3-bromophenyl)-1H-imidazol-2-yl)-5-methylhexyl}-N-cyclohexylamine; agonists or antagonists of somatostatin receptors; acromegaly, restenosis, Crohn's disease, systemic sclerosis, external and internal pancreatic pseudocysts and ascites, nesidoblastosis, hyperinsulinism, gastrinoma, etc. GHSR, IGF1R, GIPR CA2 4272/4885MAOB 2865/4885PSMB8 963/4885
US-20240317708-A1 INHIBITORS OF TRANSGLUTAMINASES TGM2, TGM3, TGM1 CA2 716/4885MAOB 517/4885PSMB8 1852/4885
US-20060142265-A1 Compositions comprising multiple bioactive agents, and methods of using the same DBI, SERPINB1, CTSF CA2 2330/4885MAOB 1085/4885PSMB8 1079/4885
US-20080221193-A1 3-AMINO CHROMANE DERIVATIVES HTR3C, HTR3A, HTR2C CA2 2032/4885MAOB 74/4885PSMB8 3873/4885
US-11584748-B2 Spirocyclic compounds CRBN, RBX1, XIAP CA2 3127/4885MAOB 3724/4885PSMB8 279/4885

“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.