SCHEMBL2866853

SCHEMBL2866853

CC(C)CN(C(=O)Oc1ccncc1)c1ccc2nc(S)sc2c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
EPHX2 P34913 3/20 0.35
CA2 P00918 4/20 0.35
WNT3A P56704 2/20 0.34
PPARA Q07869 2/20 0.34
ATM Q13315 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
ABL1 P00519 1/20 0.32
ATAD2 Q6PL18 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
SCHEMBL2863746 0.89 EPHX2 (0.40) MAPTEPHX2CA2PPARAKMT2A
SCHEMBL2861331 0.88 MAPT (0.43) MAPTEPHX2CA2PPARA
SCHEMBL2859668 0.86 GSK3B (0.37) EPHX2CA2CYP3A4
SCHEMBL2859926 0.85 CA2 (0.45) CA2
SCHEMBL2865990 0.85 MAPT (0.38) MAPTCA2WNT3ACYP3A4NPC1
SCHEMBL2866713 0.85 EPHX2 (0.34) MAPTEPHX2CA2PPARAATM
SCHEMBL2869556 0.84 MAPT (0.40) MAPTCA2WNT3APPARAKMT2A
SCHEMBL2869166 0.84 EPHX2 (0.37) MAPTEPHX2CA2PPARAATM
SCHEMBL3405108 0.84 ATM (0.38) MAPTEPHX2PPARAATMKMT2A
SCHEMBL2861474 0.83 DYRK1A (0.35) MAPTEPHX2CA2PPARAKMT2A

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 MAPT 3030/4885EPHX2 1552/4885CA2 297/4885

“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.