SCHEMBL2867655

SCHEMBL2867655

O=C(Oc1ccc(-c2cc(O)no2)cc1)N(Cc1ccncc1)c1ccc2nc(S)sc2c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 4/20 0.36
CYP3A4 P08684 1/20 0.35
MAPT P10636 3/20 0.35
TP53 P04637 2/20 0.34
LMNA P02545 3/20 0.33
ABHD6 Q9BV23 1/20 0.33
POLB P06746 1/20 0.32
CA2 P00918 1/20 0.32
APP P05067 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC5 Q9UQL6 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
SCHEMBL2865990 0.87 MAPT (0.38) WNT3ACYP3A4MAPTTP53LMNA
SCHEMBL2866104 0.85 EPHX2 (0.40) WNT3ACYP3A4MAPTNPC1RAB9A
SCHEMBL2862154 0.85 EPHX2 (0.34) MAPTTP53LMNACA2GLA
SCHEMBL2866776 0.84 CA2 (0.40) WNT3AMAPTTP53LMNACA2
SCHEMBL2866937 0.83 TMPRSS15 (0.36) CA2
SCHEMBL2860683 0.83 MAPT (0.44) WNT3AMAPTTP53LMNA
SCHEMBL2867433 0.82 SCN9A (0.41) WNT3ACYP3A4MAPTLMNAAPP
SCHEMBL2868498 0.81 CA2 (0.43) CA2
SCHEMBL2863708 0.81 KMT2A (0.37) WNT3ACYP3A4MAPTTP53LMNA
SCHEMBL2856702 0.81 PTGDR2 (0.41) WNT3A

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 WNT3A 4665/4885CYP3A4 352/4885MAPT 3030/4885

“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.