SCHEMBL2861041

SCHEMBL2861041

O=C(Nc1ccc(C(F)(F)F)cc1)N(CCCCc1nn[nH]n1)c1ccc2nc(S)sc2c1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.45
EPHX2 P34913 15/20 0.41
FPR2 P25090 1/20 0.39
CSNK1D P48730 1/20 0.35
DYRK1A Q13627 1/20 0.34

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
SCHEMBL2861075 0.90 EPHX2 (0.41) MLYCDEPHX2
SCHEMBL2865664 0.89 EPHX2 (0.42) MLYCDEPHX2
SCHEMBL2870239 0.88 EPHX2 (0.41) MLYCDEPHX2
SCHEMBL2863734 0.87 EPHX2 (0.39) MLYCDEPHX2
SCHEMBL2867639 0.87 EPHX2 (0.41) MLYCDEPHX2DYRK1A
SCHEMBL2866095 0.87 EPHX2 (0.42) MLYCDEPHX2
SCHEMBL2863301 0.86 EPHX2 (0.41) MLYCDEPHX2
SCHEMBL2863097 0.86 MLYCD (0.45) MLYCDCSNK1D
SCHEMBL3406478 0.86 MLYCD (0.41) MLYCDFPR2
SCHEMBL2865571 0.84 EPHX2 (0.39) MLYCDEPHX2

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 MLYCD 4/4885EPHX2 1552/4885FPR2 4093/4885

“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.