SCHEMBL2866713

SCHEMBL2866713

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.34
CA2 P00918 4/20 0.34
SLC16A3 O15427 1/20 0.34
SLC16A1 P53985 1/20 0.34
KMT2A Q03164 3/20 0.33
ATM Q13315 2/20 0.33
PPARA Q07869 2/20 0.33
GSK3B P49841 1/20 0.33
BCHE P06276 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 1/20 0.32
CSNK1D P48730 1/20 0.32
CNR2 P34972 2/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RXFP1 Q9HBX9 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
SCHEMBL2859668 0.89 GSK3B (0.37) EPHX2CA2GSK3BAPP
SCHEMBL2859515 0.87 CA2 (0.37) CA2KMT2APPARAGSK3BMAPT
SCHEMBL2863746 0.86 EPHX2 (0.40) EPHX2CA2KMT2APPARATDP1
SCHEMBL2866853 0.85 MAPT (0.36) EPHX2CA2KMT2AATMPPARA
SCHEMBL2863708 0.85 KMT2A (0.37) CA2KMT2AMAPTNPC1RAB9A
SCHEMBL2870349 0.84 TMPRSS15 (0.37) CA2KMT2A
SCHEMBL2862183 0.84 EPHX2 (0.44) EPHX2KMT2AKDM4EMAPTMEN1
SCHEMBL2861331 0.83 MAPT (0.43) EPHX2CA2PPARABCHEMAPT
SCHEMBL3403237 0.83 KMT2A (0.34) KMT2AATMBCHECNR2ACHE
SCHEMBL2859926 0.83 CA2 (0.45) CA2

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 1552/4885CA2 297/4885SLC16A3 188/4885

“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.