SCHEMBL2860683

SCHEMBL2860683

O=C(Oc1ccc(C(F)(F)F)cc1)N(Cc1ccncc1)c1ccc2nc(S)sc2c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
CACNA1B Q00975 3/20 0.41
CACNA1H O95180 1/20 0.41
CSNK1D P48730 4/20 0.38
PPARA Q07869 2/20 0.37
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
WNT3A P56704 1/20 0.35
SLC2A1 P11166 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 2/20 0.35
LIPE Q05469 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) MAPTWNT3ALMNATP53
SCHEMBL2866776 0.89 CA2 (0.40) MAPTCSNK1DPPARDWNT3ALMNA
SCHEMBL2859562 0.89 MAPT (0.34) MAPTCACNA1BCACNA1HCSNK1DWNT3A
SCHEMBL2867433 0.86 SCN9A (0.41) MAPTCACNA1BCACNA1HWNT3ALMNA
SCHEMBL2868498 0.85 CA2 (0.43)
SCHEMBL2863708 0.85 KMT2A (0.37) MAPTCACNA1BCACNA1HWNT3ALMNA
SCHEMBL2861331 0.84 MAPT (0.43) MAPTCACNA1BCACNA1HCSNK1DPPARA
SCHEMBL2867706 0.83 EPHX2 (0.42) MAPTCSNK1DLMNA
SCHEMBL2868103 0.83 PPARA (0.40) MAPTCACNA1BCACNA1HCSNK1DPPARA
SCHEMBL2867655 0.83 WNT3A (0.36) MAPTWNT3ALMNATP53

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 MAPT 3030/4885CACNA1B 4054/4885CACNA1H 3264/4885

“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.