SCHEMBL2866012

SCHEMBL2866012

CC(CS)N(C(=O)Oc1ccc(C#N)cc1)c1ccc2ncsc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
PPARG P37231 1/20 0.39
PPP1CA P62136 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NR2E3 Q9Y5X4 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL3433640 0.95 MEN1 (0.37) PDE10AMEN1KMT2AKDM4EALDH1A1
SCHEMBL2859516 0.90 PDE10A (0.37) PDE10AMEN1KMT2AKDM4EALDH1A1
SCHEMBL2855118 0.88 NPC1 (0.41) PDE10AMEN1KMT2AKDM4EALDH1A1
SCHEMBL2869557 0.87 GFER (0.40) PDE10AMEN1KMT2AKDM4EALDH1A1
SCHEMBL2855234 0.85 MEN1 (0.44) PDE10AMEN1KMT2AKDM4EALDH1A1
SCHEMBL2862836 0.85 ALDH1A1 (0.40) PDE10AMEN1KMT2AALDH1A1RXFP1
SCHEMBL3404966 0.83 MMP2 (0.36) ALDH1A1PPARGCHRNB2CHRNB4CHRNA3
SCHEMBL2863729 0.82 NTRK1 (0.38) PDE10AMEN1KMT2AKDM4EALDH1A1
SCHEMBL2864066 0.82 SMPD1 (0.37) PDE10AMEN1KMT2ALMNATP53
SCHEMBL2858382 0.81 ALDH1A1 (0.40) PDE10AALDH1A1L3MBTL1LMNATP53

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 3 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

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 PDE10A 3156/4885MEN1 669/4885KMT2A 1536/4885

“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.