SCHEMBL2867433

SCHEMBL2867433

N#Cc1ccc(OC(=O)N(Cc2ccncc2)c2ccc3nc(S)sc3c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.41
CYP3A4 P08684 1/20 0.40
CACNA1B Q00975 3/20 0.39
CACNA1H O95180 2/20 0.39
GSK3B P49841 1/20 0.36
LMNA P02545 2/20 0.35
MLYCD O95822 1/20 0.35
ITK Q08881 1/20 0.35
APP P05067 1/20 0.35
MAPT P10636 2/20 0.35
WNT3A P56704 1/20 0.35
CYP2C19 P33261 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
SCHEMBL2865990 0.91 MAPT (0.38) CYP3A4LMNAMAPTWNT3A
SCHEMBL2863708 0.90 KMT2A (0.37) CYP3A4CACNA1BCACNA1HLMNAMAPT
SCHEMBL2866776 0.88 CA2 (0.40) LMNAMAPTWNT3A
SCHEMBL2860683 0.86 MAPT (0.44) CACNA1BCACNA1HLMNAMAPTWNT3A
SCHEMBL2868498 0.85 CA2 (0.43)
SCHEMBL2860311 0.84 EPHX2 (0.41) SCN9AMAPT
SCHEMBL2859668 0.83 GSK3B (0.37) SCN9ACYP3A4CACNA1BCACNA1HGSK3B
SCHEMBL2859562 0.82 MAPT (0.34) CYP3A4CACNA1BCACNA1HLMNAMAPT
SCHEMBL2857711 0.82 TMPRSS15 (0.38) SCN9ACYP3A4CACNA1BCACNA1HGSK3B
SCHEMBL2867655 0.82 WNT3A (0.36) CYP3A4LMNAAPPMAPTWNT3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1370260-B1 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2010-11-24 EP claimed
US-7709510-B2 Azoles as malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-05-04 US claimed
US-20040092503-A1 Azoles as malonyl-coa decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-05-13 US claimed
EP-1370260-A2 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-12-17 EP claimed
WO-2002066035-A2 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-08-29 WO 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 (1 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-20040092503-A1 Azoles as malonyl-coa decarboxylase inhibitors useful as metabolic modulators ME1, ME3, ME2 SCN9A 3498/4885CYP3A4 352/4885CACNA1B 4054/4885

“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.