SCHEMBL2867706

SCHEMBL2867706

O=C(Nc1ccc(C(F)(F)F)cc1)N(Cc1ccncc1)c1ccc2nc(S)sc2c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.42
NAMPT P43490 1/20 0.42
MTOR P42345 1/20 0.41
HIF1A Q16665 1/20 0.40
EPAS1 Q99814 1/20 0.40
FLT1 P17948 1/20 0.39
KDR P35968 1/20 0.39
CSNK1D P48730 3/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
DYRK1A Q13627 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 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
SCHEMBL2864054 0.91 MAPT (0.44) EPHX2NAMPTMAPT
SCHEMBL2863564 0.88 EPHX2 (0.42) EPHX2NAMPTMAPTNPC1RAB9A
SCHEMBL2860184 0.86 MAPT (0.39) EPHX2FLT1KDRCSNK1DMAPT
SCHEMBL2860311 0.86 EPHX2 (0.41) EPHX2NAMPTMAPTDYRK1APOLB
SCHEMBL2869845 0.85 EPHX2 (0.42) EPHX2MAPTMEN1KMT2A
SCHEMBL2859768 0.85 CA1 (0.45) EPHX2NAMPTMAPTMEN1NPC1
SCHEMBL7161880 0.85 GCGR (0.55) EPHX2
SCHEMBL543875 0.84 EPHX2 (0.45) EPHX2CSNK1DMAPTDYRK1A
SCHEMBL2860683 0.83 MAPT (0.44) CSNK1DLMNAMAPT
SCHEMBL2867427 0.83 EPHX2 (0.45) EPHX2CSNK1DDYRK1A

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 1552/4885NAMPT 1259/4885MTOR 1015/4885

“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.