SCHEMBL1379573

SCHEMBL1379573

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.35

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
SCHEMBL1379571 1.00 APP (0.39) APPTDP1KMT2AMEN1MAPT
SCHEMBL5144162 0.92 APP (0.39) APPTDP1KMT2AMEN1MAPT
SCHEMBL8302738 0.91 APP (0.38) APPTDP1KMT2AMEN1MAPT
SCHEMBL1379587 0.91 APP (0.41) APPTDP1KMT2AMEN1MAPT
SCHEMBL1379586 0.91 APP (0.41) APPTDP1KMT2AMEN1MAPT
SCHEMBL1376041 0.90 MAPT (0.47) APPKMT2AMEN1MAPTALDH1A1
SCHEMBL1376039 0.90 MAPT (0.47) APPKMT2AMEN1MAPTALDH1A1
SCHEMBL1376394 0.90 APP (0.42) APPKMT2AMEN1MAPTALDH1A1
SCHEMBL1375570 0.90 APP (0.40) APPKMT2AMEN1MAPTALDH1A1
SCHEMBL1376393 0.90 APP (0.42) APPKMT2AMEN1MAPTALDH1A1

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 16 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
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 disclosed
US-20080161358-A1 Cyanoamide Compounds Useful as Malonyl-COA Decarboxylase Inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA 2008-07-03 US disclosed
US-7285562-B2 Cyanoamide compounds useful as malonyl-CoA decarboxylase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-10-23 US disclosed
EP-1648564-B1 CYANOAMIDE COMPOUNDS USEFUL AS MALONYL-COA DECARBOXYLASE INHIBITORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2007-10-17 EP disclosed
EP-1648564-A1 CYANOAMIDE COMPOUNDS USEFUL AS MALONYL-COA DECARBOXYLASE INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-04-26 EP disclosed
WO-2005011812-A1 CYANOAMIDE COMPOUNDS USEFUL AS MALONYL-COA DECARBOXYLASE INHIBITHORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-02-10 WO disclosed
US-20050026945-A1 Cyanoamide compounds useful as malonyl-CoA decarboxylase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-02-03 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 (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 2169/4885TDP1 1891/4885KMT2A 1067/4885
US-20080161358-A1 Cyanoamide Compounds Useful as Malonyl-COA Decarboxylase Inhibitors ACACA, ACACB, MCCC2 APP 2074/4885TDP1 1769/4885KMT2A 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.