SCHEMBL2859516

SCHEMBL2859516

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.37
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.34
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
KDM4E B2RXH2 5/20 0.34
ALDH1A1 P00352 5/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
TDP1 Q9NUW8 3/20 0.34
HKDC1 Q2TB90 2/20 0.34
GAA P10253 1/20 0.34
PPARG P37231 1/20 0.34
PPP1CA P62136 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NR2E3 Q9Y5X4 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
P2RX4 Q99571 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33

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
SCHEMBL2866012 0.90 PDE10A (0.39) PDE10AKMT2AMEN1NPC1RAB9A
SCHEMBL2855118 0.85 NPC1 (0.41) PDE10AKMT2AMEN1NPC1RAB9A
SCHEMBL3433640 0.85 MEN1 (0.37) PDE10AKMT2AMEN1NPC1RAB9A
SCHEMBL2869557 0.84 GFER (0.40) PDE10AKMT2AMEN1NPC1RAB9A
SCHEMBL2855234 0.83 MEN1 (0.44) PDE10AKMT2AMEN1NPC1RAB9A
SCHEMBL3409796 0.83 KMT2A (0.35) KMT2A
SCHEMBL2862836 0.82 ALDH1A1 (0.40) PDE10AKMT2AMEN1NPC1RAB9A
SCHEMBL2866715 0.81 PDE10A (0.37) PDE10AKMT2AMEN1NPC1RAB9A
SCHEMBL2863729 0.80 NTRK1 (0.38) PDE10AKMT2AMEN1NPC1RAB9A
SCHEMBL2864066 0.79 SMPD1 (0.37) PDE10AKMT2AMEN1NPC1RAB9A

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

“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.