SCHEMBL2866857

SCHEMBL2866857

CC(C)(S)CN(C(=O)Oc1ccncc1)c1ccc2ncsc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.39
PDE10A Q9Y233 5/20 0.38
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HKDC1 Q2TB90 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
NTRK1 P04629 3/20 0.35
NTRK2 Q16620 3/20 0.35
P2RX4 Q99571 1/20 0.34
POLB P06746 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NAMPT P43490 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
SCHEMBL2863749 0.89 NPC1 (0.40) PDE10ANPC1RAB9AKDM4EL3MBTL1
SCHEMBL2859929 0.85 ALDH1A1 (0.40) PDE10ANPC1RAB9AMEN1KMT2A
SCHEMBL2861476 0.84 NTRK1 (0.38) PDE10ANPC1RAB9AKDM4EL3MBTL1
SCHEMBL3405114 0.84 NPC1 (0.46) GFERPDE10ANPC1RAB9AKDM4E
SCHEMBL2869167 0.82 NPC1 (0.38) PDE10ANPC1RAB9AKDM4EL3MBTL1
SCHEMBL2866036 0.82 ALDH1A1 (0.40) PDE10AL3MBTL1KMT2AALDH1A1
SCHEMBL3404349 0.80 IRAK4 (0.31)
SCHEMBL2869557 0.78 GFER (0.40) GFERPDE10ANPC1RAB9AKDM4E
SCHEMBL2856663 0.71 PDE10A (0.33) PDE10ANPC1RAB9AKDM4EL3MBTL1
SCHEMBL3409576 0.69 LIPE (0.36) NPC1RAB9AKDM4EMEN1KMT2A

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 3156/4885NPC1 833/4885

“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.