SCHEMBL2855036

SCHEMBL2855036

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

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 13/20 0.42
HSD17B10 Q99714 1/20 0.41
LTA4H P09960 1/20 0.37
XDH P47989 3/20 0.37
LDHA P00338 1/20 0.36
LDHB P07195 1/20 0.36

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
SCHEMBL2870239 0.89 EPHX2 (0.41) EPHX2HSD17B10LTA4HXDH
SCHEMBL3406379 0.85 HSD17B10 (0.37) HSD17B10LTA4HXDHLDHALDHB
SCHEMBL2867200 0.85 TMPRSS15 (0.42) HSD17B10
SCHEMBL2855023 0.85 EPHX2 (0.47) EPHX2LDHA
SCHEMBL2859794 0.85 IDO1 (0.42) EPHX2HSD17B10XDH
SCHEMBL2862795 0.84 HSD17B10 (0.41) EPHX2HSD17B10LTA4HXDH
SCHEMBL2862324 0.82 EPHX2 (0.46) EPHX2LDHA
SCHEMBL2865664 0.82 EPHX2 (0.42) EPHX2
SCHEMBL3403894 0.82 HSD17B10 (0.39) EPHX2HSD17B10LTA4HXDH
SCHEMBL2864350 0.81 EPHX2 (0.45) EPHX2LDHA

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 58/4885LTA4H 3562/4885

“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.