SCHEMBL2540393

SCHEMBL2540393

CCC=C(OCc1ccccc1)c1ccc2ncn(-c3nc(-c4cccc(Cl)c4)c(C(=O)OCC)s3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.40
DHODH Q02127 6/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 1/20 0.37
CDC7 O00311 2/20 0.37
DBF4 Q9UBU7 2/20 0.37
GSTO1 P78417 1/20 0.37
PLK1 P53350 2/20 0.37
CFTR P13569 1/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ACHE P22303 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL2540389 1.00 TRPM8 (0.40) TRPM8DHODHPDE4APDE4BPDE4C
SCHEMBL2543191 0.86 MEN1 (0.45) TRPM8DHODHPDE4APDE4BPDE4C
SCHEMBL2546390 0.82 TRPM8 (0.40) TRPM8DHODHPDE4APDE4BPDE4C
SCHEMBL2540391 0.81 TRPM8 (0.39) TRPM8DHODHPDE4APDE4BPDE4C
SCHEMBL2540431 0.81 TRPM8 (0.46) TRPM8DHODHPDE4APDE4BPDE4C
SCHEMBL2545221 0.79 TRPM8 (0.44) TRPM8DHODHPDE4APDE4BPDE4C
SCHEMBL3893539 0.77 ALDH1A1 (0.52) TRPM8DHODHALDH1A1HSD17B10CDC7
SCHEMBL2536649 0.77 AXL (0.44) TRPM8DHODHPDE4APDE4BPDE4C
SCHEMBL2540904 0.77 TRPM8 (0.46) TRPM8DHODHPDE4APDE4BPDE4C
SCHEMBL2539004 0.76 PLK1 (0.45) PLK1CYP1A2PPARG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044213-B2 Thiazolyl-benzimidazoles HOFFMANN-LA ROCHE INC. (US) 2011-10-25 US disclosed
US-20100160308-A1 Thiazolyl-Benzimidazoles CAI JIANPING 2010-06-24 US disclosed

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-20100160308-A1 Thiazolyl-Benzimidazoles CYP3A7, CYP2C19, CYP3A5 TRPM8 2617/4885DHODH 327/4885PDE4A 1791/4885

“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.