SCHEMBL1376774

SCHEMBL1376774

CC(C)N(C(=O)/C(C#N)=C(\O)CCc1ccccc1)c1ccc2nc(S)sc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.38
POLB P06746 2/20 0.38
RAB9A P51151 1/20 0.38
TP53 P04637 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.35
LMNA P02545 3/20 0.35
MAPK1 P28482 2/20 0.35
MITF O75030 1/20 0.35
IDE P14735 1/20 0.35
HTT P42858 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MLYCD O95822 1/20 0.35
MAOB P27338 1/20 0.35
SNCA P37840 1/20 0.35
PPARD Q03181 1/20 0.33
APP P05067 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 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
SCHEMBL1376776 1.00 MAPT (0.38) MAPTPOLBRAB9ATP53SMN1; SMN2
SCHEMBL1379812 0.91 MAPT (0.37) MAPTPOLBRAB9ATP53SMN1; SMN2
SCHEMBL1379811 0.91 MAPT (0.37) MAPTPOLBRAB9ATP53SMN1; SMN2
SCHEMBL1379232 0.86 NPC1 (0.34) MAPTPOLBRAB9AMITFSNCA
SCHEMBL1379234 0.86 NPC1 (0.34) MAPTPOLBRAB9AMITFSNCA
SCHEMBL1378211 0.84 APP (0.34) MAPTSNCAAPPCASP3SENP8
SCHEMBL1378209 0.84 APP (0.34) MAPTSNCAAPPCASP3SENP8
SCHEMBL1380115 0.83 MAPT (0.36) MAPTLMNAMLYCDAPPKMT2A
SCHEMBL1380110 0.83 MAPT (0.36) MAPTLMNAMLYCDAPPKMT2A
SCHEMBL1376171 0.82 RAB9A (0.40) MAPTPOLBRAB9ATP53SMN1; SMN2

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 MAPT 2998/4885POLB 1362/4885RAB9A 4197/4885
US-20080161358-A1 Cyanoamide Compounds Useful as Malonyl-COA Decarboxylase Inhibitors ACACA, ACACB, MCCC2 MAPT 2963/4885POLB 1334/4885RAB9A 4230/4885

“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.