SCHEMBL2869557

SCHEMBL2869557

CC(CS)N(C(=O)Oc1ccncc1)c1ccc2ncsc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.40
PDE10A Q9Y233 5/20 0.38
P2RX4 Q99571 1/20 0.38
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
KDM4E B2RXH2 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
HKDC1 Q2TB90 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.34
NTRK1 P04629 1/20 0.34
NTRK2 Q16620 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
NAMPT P43490 1/20 0.33
FFAR1 O14842 1/20 0.33
DYRK3 O43781 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
SCHEMBL2855118 0.89 NPC1 (0.41) PDE10AP2RX4NPC1RAB9AKDM4E
SCHEMBL2855234 0.88 MEN1 (0.44) PDE10ANPC1RAB9AKDM4EL3MBTL1
SCHEMBL2866012 0.87 PDE10A (0.39) PDE10AP2RX4NPC1RAB9AKDM4E
SCHEMBL2862836 0.85 ALDH1A1 (0.40) PDE10ANPC1RAB9AMEN1KMT2A
SCHEMBL2859516 0.84 PDE10A (0.37) PDE10AP2RX4NPC1RAB9AKDM4E
SCHEMBL2863729 0.83 NTRK1 (0.38) PDE10AP2RX4NPC1RAB9AKDM4E
SCHEMBL3433640 0.83 MEN1 (0.37) PDE10AP2RX4NPC1RAB9AKDM4E
SCHEMBL3410313 0.82 NPC1 (0.46) GFERPDE10AP2RX4NPC1RAB9A
SCHEMBL2858382 0.81 ALDH1A1 (0.40) PDE10AL3MBTL1ALDH1A1
SCHEMBL3405645 0.80 ABHD6 (0.30) DYRK3CLK1CLK2CLK3GSK3B

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 GFER 674/4885PDE10A 3156/4885P2RX4 4841/4885

“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.