SCHEMBL2870239

SCHEMBL2870239

O=C(Nc1ccc(-c2nn[nH]n2)cc1)N(CCCCc1nn[nH]n1)c1ccc2nc(S)sc2c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 13/20 0.41
HSD17B10 Q99714 1/20 0.40
MLYCD O95822 1/20 0.37
XDH P47989 2/20 0.36
LTA4H P09960 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
P2RY12 Q9H244 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
SCHEMBL2865664 0.91 EPHX2 (0.42) EPHX2MLYCD
SCHEMBL2855036 0.89 EPHX2 (0.42) EPHX2HSD17B10XDHLTA4H
SCHEMBL2861075 0.89 EPHX2 (0.41) EPHX2MLYCDPDE3BPDE3AP2RY12
SCHEMBL2867639 0.88 EPHX2 (0.41) EPHX2MLYCD
SCHEMBL2861041 0.88 MLYCD (0.45) EPHX2MLYCD
SCHEMBL2865571 0.88 EPHX2 (0.39) EPHX2HSD17B10MLYCDPDE3BPDE3A
SCHEMBL2866095 0.87 EPHX2 (0.42) EPHX2HSD17B10MLYCD
SCHEMBL2863301 0.87 EPHX2 (0.41) EPHX2MLYCD
SCHEMBL2866243 0.85 PDE3B (0.39) HSD17B10MLYCDPDE3BPDE3AP2RY12
SCHEMBL3410531 0.85 HSD17B10 (0.37) HSD17B10MLYCDXDHLTA4HPDE3B

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 1552/4885HSD17B10 58/4885MLYCD 4/4885

“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.