SCHEMBL2864055

SCHEMBL2864055

O=C(O)CCCCCNC(=O)N(CCCCC(=O)O)c1ccc2nc(S)sc2c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.38
NPC1 O15118 1/20 0.38
MITF O75030 1/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 1/20 0.37
MAOB P27338 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HDAC6 Q9UBN7 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
SCHEMBL2867273 0.89 QPCT (0.39) EPHX2NPC1MITFPOLBAPEX1
SCHEMBL2862187 0.88 PDE2A (0.32) EPHX2NPC1MITFPOLBAPEX1
SCHEMBL2869509 0.88 MLYCD (0.37) EPHX2NPC1MITFPOLBAPEX1
SCHEMBL2859503 0.88 ALDH1A1 (0.41) NPC1MITFPOLBAPEX1RAB9A
SCHEMBL2866976 0.85 MAOB (0.39) NPC1MITFPOLBAPEX1RAB9A
SCHEMBL2862324 0.83 EPHX2 (0.46) EPHX2NPC1MITFPOLBAPEX1
SCHEMBL2855023 0.82 EPHX2 (0.47) EPHX2NPC1MITFPOLBAPEX1
SCHEMBL2863664 0.81 LTB4R (0.36) EPHX2NPC1MITFPOLBAPEX1
SCHEMBL3404890 0.81 MAPK1 (0.37) EPHX2POLBMAPK1ITGB3ITGA2B
SCHEMBL2864350 0.80 EPHX2 (0.45) EPHX2POLB

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 1552/4885NPC1 833/4885MITF 1358/4885

“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.