SCHEMBL1376130

SCHEMBL1376130

CC(C)N(C(=O)/C(C#N)=C/c1cccc(Cl)c1)c1ccc2nc(S)sc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 4/20 0.44
POLB P06746 3/20 0.44
PKM P14618 2/20 0.44
APP P05067 3/20 0.36
MEN1 O00255 3/20 0.35
MAPT P10636 3/20 0.35
HTT P42858 2/20 0.35
JAK3 P52333 3/20 0.34
SRC P12931 1/20 0.34
BTK Q06187 1/20 0.34
LMNA P02545 4/20 0.33
NPC1 O15118 1/20 0.33
NTSR1 P30989 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ATM Q13315 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 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
SCHEMBL1376132 1.00 KMT2A (0.44) KMT2AALDH1A1KDM4EPOLBPKM
SCHEMBL1379601 0.90 APP (0.40) KMT2AALDH1A1POLBAPPMEN1
SCHEMBL1379599 0.90 APP (0.40) KMT2AALDH1A1POLBAPPMEN1
SCHEMBL1376124 0.89 APP (0.37) KMT2AALDH1A1KDM4EPKMAPP
SCHEMBL1376122 0.89 APP (0.37) KMT2AALDH1A1KDM4EPKMAPP
SCHEMBL1377147 0.87 MAPT (0.39) KMT2AALDH1A1KDM4EAPPMEN1
SCHEMBL1377144 0.87 MAPT (0.39) KMT2AALDH1A1KDM4EAPPMEN1
SCHEMBL1379405 0.86 ALDH1A1 (0.46) KMT2AALDH1A1KDM4EPKMAPP
SCHEMBL1379407 0.86 ALDH1A1 (0.46) KMT2AALDH1A1KDM4EPKMAPP
SCHEMBL1376385 0.85 KDM4E (0.40) KMT2AALDH1A1KDM4EPOLBAPP

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 KMT2A 1067/4885ALDH1A1 533/4885KDM4E 915/4885
US-20080161358-A1 Cyanoamide Compounds Useful as Malonyl-COA Decarboxylase Inhibitors ACACA, ACACB, MCCC2 KMT2A 1128/4885ALDH1A1 544/4885KDM4E 975/4885

“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.