SCHEMBL2869845

SCHEMBL2869845

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

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 14/20 0.42
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PIK3CA P42336 1/20 0.35
PIK3CG P48736 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
SCHEMBL2860311 0.90 EPHX2 (0.41) EPHX2MAPT
SCHEMBL2864054 0.90 MAPT (0.44) EPHX2MAPT
SCHEMBL2863564 0.86 EPHX2 (0.42) EPHX2MAPTSMN1; SMN2
SCHEMBL2867706 0.85 EPHX2 (0.42) EPHX2MAPTKMT2AMEN1
SCHEMBL2862183 0.85 EPHX2 (0.44) EPHX2MAPTKMT2AMEN1ALDH1A1
SCHEMBL2863708 0.84 KMT2A (0.37) MAPTKMT2A
SCHEMBL2859768 0.84 CA1 (0.45) EPHX2MAPTKMT2AMEN1ALDH1A1
SCHEMBL2864224 0.83 EPHX2 (0.45) EPHX2KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL2866104 0.81 EPHX2 (0.40) EPHX2MAPTKMT2AMEN1ALDH1A1
SCHEMBL2869224 0.81 MAPT (0.44) EPHX2MAPTKMT2AMEN1ALDH1A1

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 3 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

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 3030/4885KMT2A 1536/4885

“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.