SCHEMBL2867053

SCHEMBL2867053

N#CCc1ccc(OC(=O)N(CC(S)CCc2nn[nH]n2)c2ccc3ncsc3c2)cc1

nearest known ligand 0.31

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 3/20 0.31
CYSLTR2 Q9NS75 2/20 0.31
CTSC P53634 1/20 0.31
PDE10A Q9Y233 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
PPARG P37231 1/20 0.30
PPP1CA P62136 1/20 0.30
KMT2A Q03164 1/20 0.30
HKDC1 Q2TB90 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
NR2E3 Q9Y5X4 1/20 0.30
NCOR2 Q9Y618 1/20 0.30

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
SCHEMBL2863660 0.92 KDM4E (0.34) CTSCPDE10AKDM4EMEN1ALDH1A1
SCHEMBL2859560 0.89 TDP1 (0.33) PDE10AKDM4EMEN1PPARGKMT2A
SCHEMBL2866246 0.88 ALDH1A1 (0.34) CYSLTR1CYSLTR2PDE10AALDH1A1L3MBTL1
SCHEMBL2863098 0.87 NTRK1 (0.37) MEN1KMT2A
SCHEMBL2866439 0.87 RXFP1 (0.33) PDE10AALDH1A1RXFP1
SCHEMBL3405759 0.85 CYSLTR1 (0.31) CYSLTR1CYSLTR2
SCHEMBL2857237 0.85 NTRK1 (0.34)
SCHEMBL2860764 0.84 SCN9A (0.30)
SCHEMBL3409812 0.83 NAALAD2 (0.38) PDE10AKDM4EMEN1ALDH1A1GAA
SCHEMBL3403727 0.78 CYSLTR2 (0.30) CYSLTR1CYSLTR2

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 CYSLTR1 3537/4885CYSLTR2 4151/4885CTSC 695/4885

“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.