SCHEMBL1129020

SCHEMBL1129020

NNC(=O)Cc1ccsc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
RAB9A P51151 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
NPC1 O15118 1/20 0.54
KMT2A Q03164 2/20 0.49
GLS O94925 2/20 0.49
MEN1 O00255 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
AOC2 O75106 1/20 0.45
ESR2 Q92731 1/20 0.45

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
SCHEMBL8353449 0.81 RAB9A (0.58) POLBRAB9ATDP1NPC1KMT2A
SCHEMBL26333098 0.81 POLB (0.54) POLBRAB9ATDP1NPC1KMT2A
SCHEMBL7271626 0.80 POLB (0.54) POLBRAB9ATDP1NPC1KMT2A
SCHEMBL12669758 0.80 RAB9A (0.54) POLBRAB9ATDP1NPC1KMT2A
SCHEMBL8628722 0.79 POLB (0.49) POLBRAB9ATDP1NPC1KMT2A
SCHEMBL10288965 0.79 TDP1 (0.53) POLBRAB9ATDP1NPC1KMT2A
SCHEMBL7820450 0.79 TAAR1 (0.47) POLBRAB9ATDP1NPC1GLS
SCHEMBL12846059 0.78 TDP1 (0.56) POLBRAB9ATDP1NPC1KMT2A
SCHEMBL28910954 0.78 RAB9A (0.59) POLBRAB9ATDP1NPC1KMT2A
SCHEMBL3590003 0.78 RAB9A (0.51) POLBRAB9ATDP1NPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541802-B1 ALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2025-01-01 EP disclosed
US-11191762-B2 Alkyl substituted triazole compounds as agonists of the APJ Receptor AMGEN INC. (US) 2021-12-07 US disclosed
US-20190290647-A1 ALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-26 US disclosed
US-20150368278-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2015-12-24 US disclosed
US-8957049-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-02-17 US disclosed
US-20110172186-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. 2011-07-14 US disclosed
EP-2282742-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE Infinity Pharmaceuticals, Inc. (US) 2011-02-16 EP disclosed
US-20100240654-A1 HYDRAZIDE DERIVATIVES CLARK RICHARD 2010-09-23 US disclosed
US-7618983-B2 Bicyclic triazole α4 integrin inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2009-11-17 US disclosed
WO-2009126691-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC (US) 2009-10-15 WO disclosed
CN-1318402-C Pyrrolidine-2-carboxylic acid hydrozide derivatives for use as metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2007-05-30 CN disclosed
US-20060128748-A1 Bicyclic triazole alpha4 integrin inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2006-06-15 US disclosed
WO-2006052962-A2 BICYCLIC TRIAZOLE A4 INTEGRIN INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-05-18 WO disclosed
EP-1317428-B1 PYRROLIDINE-2-CARBOXYLIC ACID HYDRAZIDE DERIVATIVES FOR USE AS METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2006-04-19 EP disclosed
US-6699853-B2 PROTECTING USEFUL PLANTS AGAINST THE UNDESIRABLE ACTION OF HARMFUL INSECTS, ACARIDS AND NEMATODES, HOECHST SCHERING AGREVO GMBH (DE) 2004-03-02 US disclosed
CN-1443163-A Pyrrolidine-2-carboxylic acid hydrazide derivatives as metalloproteinase inhibitors HOFFMANN LA ROCHE (CH) 2003-09-17 CN disclosed
US-20030162812-A1 4-haloalkyl-3-heterocyclylpyridines, 4-haloalkyl-5-heterocyclyl-pyrimidines and 4-trifluoromethyl-3-oxadiazolylpyridines, processes for their preparation, compositions comprising them, and their use as pesticides HARMSEN SVEN (DE) 2003-08-28 US disclosed
US-6521610-B2 For controlling harmful insects, acarina and nematodes HOECHST SCHERING AGREVO GMBH (DE) 2003-02-18 US disclosed
US-20020013326-A1 4-Haloalkyl-3-heterocyclylpyridines and 4-haloalkyl-5-heterocyclyl-pyrimidines, processes for their preparation, compositions comprising them, and their use as pesticides TIEBES JORG (DE) 2002-01-31 US disclosed
US-6239160-B1 4-haloalkyl-3-heterocyclylpyridines and 4-haloalkyl-5-heterocyclylpyrimidines, processes for their preparation, compositions comprising them, and their use as pesticides HOECHST SCHERING AGREVO GMBH (DE) 2001-05-29 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 (8 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-20030162812-A1 4-haloalkyl-3-heterocyclylpyridines, 4-haloalkyl-5-heterocyclyl-pyrimidines and 4-trifluoromethyl-3-oxadiazolylpyridines, processes for their preparation, compositions comprising them, and their use as pesticides DDT, HCK, HPD POLB 3998/4885RAB9A 1632/4885TDP1 1502/4885
US-20100240654-A1 HYDRAZIDE DERIVATIVES H1-10, H1-4, H1-3 POLB 1949/4885RAB9A 337/4885TDP1 2706/4885
US-11191762-B2 Alkyl substituted triazole compounds as agonists of the APJ Receptor AGTR1, AGTR2, APLNR POLB 4064/4885RAB9A 1103/4885TDP1 3112/4885
US-20110172186-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 POLB 3360/4885RAB9A 1820/4885TDP1 3255/4885
US-20020013326-A1 4-Haloalkyl-3-heterocyclylpyridines and 4-haloalkyl-5-heterocyclyl-pyrimidines, processes for their preparation, compositions comprising them, and their use as pesticides DDT, HAX1, HDHD5 POLB 2336/4885RAB9A 995/4885TDP1 926/4885
US-20150368278-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 POLB 3360/4885RAB9A 1820/4885TDP1 3255/4885
US-20190290647-A1 ALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AGTR1, AGTR2, APLNR POLB 4064/4885RAB9A 1103/4885TDP1 3112/4885
US-20060128748-A1 Bicyclic triazole alpha4 integrin inhibitors ITGA4, ITGB4, ITGB5 POLB 4094/4885RAB9A 1590/4885TDP1 4375/4885

“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.