SCHEMBL2863708

SCHEMBL2863708

N#CCc1ccc(OC(=O)N(Cc2ccncc2)c2ccc3nc(S)sc3c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.37
WNT3A P56704 3/20 0.36
CYP3A4 P08684 1/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 3/20 0.35
CA2 P00918 2/20 0.35
TP53 P04637 2/20 0.34
POLB P06746 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CACNA1B Q00975 2/20 0.33
CACNA1H O95180 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
SCHEMBL2867433 0.90 SCN9A (0.41) WNT3ACYP3A4MAPTLMNACACNA1B
SCHEMBL2865990 0.90 MAPT (0.38) WNT3ACYP3A4MAPTLMNACA2
SCHEMBL2866776 0.87 CA2 (0.40) WNT3AMAPTLMNACA2TP53
SCHEMBL2860683 0.85 MAPT (0.44) WNT3AMAPTLMNATP53CACNA1B
SCHEMBL2866713 0.85 EPHX2 (0.34) KMT2AMAPTCA2NPC1RAB9A
SCHEMBL2869845 0.84 EPHX2 (0.42) KMT2AMAPT
SCHEMBL2868498 0.84 CA2 (0.43) KMT2ACA2
SCHEMBL2870349 0.83 TMPRSS15 (0.37) KMT2ACA2CACNA1BCACNA1H
SCHEMBL2859562 0.82 MAPT (0.34) WNT3ACYP3A4MAPTLMNACA2
SCHEMBL2867655 0.81 WNT3A (0.36) WNT3ACYP3A4MAPTLMNACA2

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 KMT2A 1536/4885WNT3A 4665/4885CYP3A4 352/4885

“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.