SCHEMBL2859515

SCHEMBL2859515

CC(C)N(C(=O)Oc1ccc(CC#N)cc1)c1ccc2nc(S)sc2c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.37
KMT2A Q03164 4/20 0.36
MAPT P10636 2/20 0.35
PPARA Q07869 2/20 0.34
GSK3B P49841 1/20 0.34
ALOX5 P09917 1/20 0.33
MEN1 O00255 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CA1 P00915 1/20 0.32
CSNK1D P48730 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
APP P05067 1/20 0.32

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
SCHEMBL2866011 0.87 DYRK1A (0.39) CA2MAPTGSK3BAPP
SCHEMBL2866713 0.87 EPHX2 (0.34) CA2KMT2AMAPTPPARAGSK3B
SCHEMBL2855117 0.84 CA2 (0.40) CA2KMT2AMAPTMEN1SMN1; SMN2
SCHEMBL3409793 0.84 KMT2A (0.37) CA2KMT2A
SCHEMBL3433643 0.83 CYP11B1 (0.36) CA2KMT2AMAPTGSK3BMEN1
SCHEMBL2869556 0.83 MAPT (0.40) CA2KMT2AMAPTPPARAALOX5
SCHEMBL2869224 0.83 MAPT (0.44) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL2855233 0.82 MAPT (0.45) CA2MAPTPPARACSNK1D
SCHEMBL2862832 0.82 CA2 (0.47) CA2CA1
SCHEMBL2863708 0.81 KMT2A (0.37) CA2KMT2AMAPTNPC1RAB9A

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 CA2 297/4885KMT2A 1536/4885MAPT 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.