SCHEMBL2862154

SCHEMBL2862154

CC(C)CN(C(=O)Oc1ccc(-c2cc(O)no2)cc1)c1ccc2nc(S)sc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HPGD P15428 3/20 0.34
THRB P10828 1/20 0.34
SMPD1 P17405 1/20 0.34
PPARA Q07869 3/20 0.33
MAPT P10636 6/20 0.33
LMNA P02545 3/20 0.33
TP53 P04637 4/20 0.32
CA2 P00918 2/20 0.32
MAPK1 P28482 1/20 0.32
STAT1 P42224 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALOX5 P09917 1/20 0.31
GLA P06280 1/20 0.31
HTT P42858 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL2864064 0.87 CA2 (0.36) NPC1RAB9ASMN1; SMN2HPGDTHRB
SCHEMBL2869348 0.85 EPHX2 (0.44) EPHX2NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL2867655 0.85 WNT3A (0.36) NPC1RAB9AMAPTLMNATP53
SCHEMBL2866937 0.85 TMPRSS15 (0.36) EPHX2CA2
SCHEMBL3404268 0.84 HPGD (0.34) NPC1RAB9ASMN1; SMN2HPGDTHRB
SCHEMBL2863746 0.84 EPHX2 (0.40) EPHX2SMN1; SMN2PPARAMAPTCA2
SCHEMBL2866853 0.82 MAPT (0.36) EPHX2NPC1RAB9ASMN1; SMN2PPARA
SCHEMBL2861331 0.81 MAPT (0.43) EPHX2PPARAMAPTCA2
SCHEMBL2859668 0.81 GSK3B (0.37) EPHX2CA2
SCHEMBL2859926 0.80 CA2 (0.45) TP53CA2

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 833/4885RAB9A 2100/4885

“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.