SCHEMBL1375570

SCHEMBL1375570

CC(C)N(C(=O)C(C#N)=Cc1ccc(C#N)cc1)c1ccc2nc(S)sc2c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.40
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 4/20 0.39
KDM4E B2RXH2 2/20 0.39
PKM P14618 1/20 0.39
ATM Q13315 1/20 0.39
DYRK1A Q13627 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 3/20 0.35
MAPT P10636 3/20 0.35
GPR183 P32249 1/20 0.34
CYP2C19 P33261 1/20 0.33
POLB P06746 1/20 0.33
SNCA P37840 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
SCHEMBL1375568 1.00 APP (0.40) APPALDH1A1KMT2AKDM4EPKM
SCHEMBL1379587 0.92 APP (0.41) APPALDH1A1KMT2AKDM4EL3MBTL1
SCHEMBL1379586 0.92 APP (0.41) APPALDH1A1KMT2AKDM4EL3MBTL1
SCHEMBL1379601 0.91 APP (0.40) APPALDH1A1KMT2AMEN1MAPT
SCHEMBL1379599 0.91 APP (0.40) APPALDH1A1KMT2AMEN1MAPT
SCHEMBL1376393 0.91 APP (0.42) APPALDH1A1KMT2AKDM4EL3MBTL1
SCHEMBL1376394 0.91 APP (0.42) APPALDH1A1KMT2AKDM4EL3MBTL1
SCHEMBL1379571 0.90 APP (0.39) APPALDH1A1KMT2AKDM4EMEN1
SCHEMBL1379573 0.90 APP (0.39) APPALDH1A1KMT2AKDM4EMEN1
SCHEMBL1376385 0.90 KDM4E (0.40) APPALDH1A1KMT2AKDM4EMEN1

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 APP 2169/4885ALDH1A1 533/4885KMT2A 1067/4885
US-20080161358-A1 Cyanoamide Compounds Useful as Malonyl-COA Decarboxylase Inhibitors ACACA, ACACB, MCCC2 APP 2074/4885ALDH1A1 544/4885KMT2A 1128/4885

“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.