SCHEMBL2859669

SCHEMBL2859669

CC(C)(S)CN(C(=O)Oc1ccc(C#N)cc1)c1ccc2ncsc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.40
PDE10A Q9Y233 5/20 0.38
KDM4E B2RXH2 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HKDC1 Q2TB90 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
PPARG P37231 1/20 0.38
PPP1CA P62136 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NR2E3 Q9Y5X4 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
SCN9A Q15858 3/20 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
SCHEMBL2866715 0.90 PDE10A (0.37) SLC22A12PDE10AKDM4EL3MBTL1MEN1
SCHEMBL2863749 0.88 NPC1 (0.40) PDE10AKDM4EL3MBTL1MEN1KMT2A
SCHEMBL2866857 0.87 GFER (0.39) PDE10AKDM4EL3MBTL1MEN1KMT2A
SCHEMBL2861333 0.86 MEN1 (0.44) PDE10AKDM4EL3MBTL1MEN1KMT2A
SCHEMBL2859929 0.85 ALDH1A1 (0.40) PDE10AMEN1KMT2AALDH1A1RXFP1
SCHEMBL2861476 0.83 NTRK1 (0.38) PDE10AKDM4EL3MBTL1MEN1KMT2A
SCHEMBL2862160 0.82 PDE10A (0.35) PDE10AKDM4EL3MBTL1MEN1KMT2A
SCHEMBL3403343 0.82 SLC22A12 (0.38) SLC22A12KDM4EL3MBTL1MEN1KMT2A
SCHEMBL2866036 0.81 ALDH1A1 (0.40) PDE10AL3MBTL1KMT2AALDH1A1LMNA
SCHEMBL2869167 0.80 NPC1 (0.38) PDE10AKDM4EL3MBTL1MEN1KMT2A

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 SLC22A12 1395/4885PDE10A 3156/4885KDM4E 675/4885

“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.