SCHEMBL2865945

SCHEMBL2865945

CC(C)CN(C(=O)Nc1ccc(C(=O)O)cc1)c1ccc2nc(S)sc2c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 13/20 0.46
MAPT P10636 1/20 0.43
NPC1 O15118 5/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL10042986 0.90 EPHX2 (0.54) EPHX2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2861378 0.88 EPHX2 (0.45) EPHX2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2866859 0.87 EPHX2 (0.45) EPHX2MAPT
SCHEMBL543875 0.87 EPHX2 (0.45) EPHX2MAPT
SCHEMBL2861770 0.86 EPHX2 (0.46) EPHX2MAPTNPC1RAB9AMEN1
SCHEMBL1383894 0.86 EPHX2 (0.37) EPHX2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2862183 0.85 EPHX2 (0.44) EPHX2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2870138 0.85 MAPT (0.51) EPHX2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2859794 0.84 IDO1 (0.42) EPHX2
SCHEMBL2855023 0.83 EPHX2 (0.47) EPHX2NPC1RAB9ASMN1; 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 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 EPHX2 1552/4885MAPT 3030/4885NPC1 833/4885

“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.