SCHEMBL1376170

SCHEMBL1376170

CC(C)N(C(=O)/C(C#N)=C(\O)Cc1cccs1)c1ccc2nc(S)sc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.40
NPC1 O15118 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
TP53 P04637 2/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CSNK1D P48730 1/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 4/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
USP2 O75604 1/20 0.36
MAOB P27338 1/20 0.35
HPGD P15428 1/20 0.34
HSD17B10 Q99714 2/20 0.33

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
SCHEMBL1376171 1.00 RAB9A (0.40) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL1379812 0.88 MAPT (0.37) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL1379811 0.88 MAPT (0.37) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL1378209 0.83 APP (0.34) MEN1KMT2ACSNK1DMAPTCASP3
SCHEMBL1378211 0.83 APP (0.34) MEN1KMT2ACSNK1DMAPTCASP3
SCHEMBL1376776 0.82 MAPT (0.38) RAB9ASMN1; SMN2TP53MEN1KMT2A
SCHEMBL1376774 0.82 MAPT (0.38) RAB9ASMN1; SMN2TP53MEN1KMT2A
SCHEMBL1379232 0.81 NPC1 (0.34) RAB9ANPC1MAPTTDP1APP
SCHEMBL1379234 0.81 NPC1 (0.34) RAB9ANPC1MAPTTDP1APP
SCHEMBL1380115 0.80 MAPT (0.36) MEN1KMT2ALMNAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4727579-B2 2011-07-20 JP claimed
US-7897615-B2 e.g. 2-Cyano-3-hydroxy-N-isopropyl-N-(2-mercapto-benzothiazol-6-yl)-3-(4-trifluoromethyl-phenyl)-acrylamide; cardiovascular disorders, antidiabetic, anticarcinogenic, antiischemic agent; obesity, metabolic disorders CHUGAI SCIYAKU KABUSHIKI KAISHA (JP) 2011-03-01 US claimed
US-20080161358-A1 Cyanoamide Compounds Useful as Malonyl-COA Decarboxylase Inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA 2008-07-03 US claimed
US-7285562-B2 Cyanoamide compounds useful as malonyl-CoA decarboxylase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-10-23 US claimed
EP-1648564-B1 CYANOAMIDE COMPOUNDS USEFUL AS MALONYL-COA DECARBOXYLASE INHIBITORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2007-10-17 EP claimed
JP-2007501233-A 2007-01-25 JP claimed
EP-1648564-A1 CYANOAMIDE COMPOUNDS USEFUL AS MALONYL-COA DECARBOXYLASE INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-04-26 EP claimed
WO-2005011812-A1 CYANOAMIDE COMPOUNDS USEFUL AS MALONYL-COA DECARBOXYLASE INHIBITHORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-02-10 WO claimed
US-20050026945-A1 Cyanoamide compounds useful as malonyl-CoA decarboxylase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-02-03 US 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 (2 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-20050026945-A1 Cyanoamide compounds useful as malonyl-CoA decarboxylase inhibitors ACACA, ACACB, MCCC2 RAB9A 4197/4885NPC1 491/4885SMN1; SMN2 2832/4885
US-20080161358-A1 Cyanoamide Compounds Useful as Malonyl-COA Decarboxylase Inhibitors ACACA, ACACB, MCCC2 RAB9A 4230/4885NPC1 533/4885SMN1; SMN2 3050/4885

“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.