SCHEMBL5034821

SCHEMBL5034821

Cc1sc(N(C(=O)c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2)nc1C(=O)N1CCCC1C#N

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 3/20 0.40
TRPC6 Q9Y210 3/20 0.40
TRPA1 O75762 1/20 0.40
CACNA1C Q13936 1/20 0.40
SCN5A Q14524 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
TRPV4 Q9HBA0 1/20 0.40
PREP P48147 8/20 0.39
GRIA2 P42262 1/20 0.38
DPP4 P27487 5/20 0.37
FAP Q12884 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
CYP3A4 P08684 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
PDE2A O00408 1/20 0.34

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
SCHEMBL5032630 1.00 TRPC3 (0.40) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL5032578 0.91 HCRTR1 (0.39) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL14190189 0.91 HCRTR1 (0.39) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL5032582 0.91 HCRTR1 (0.39) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL5035011 0.82 CYP3A4 (0.41) DPP4DPP8CYP3A4
SCHEMBL5035145 0.80 CNR1 (0.46) CYP3A4PDE2A
SCHEMBL14217575 0.80 CNR1 (0.46) CYP3A4PDE2A
SCHEMBL5035014 0.79 TRPC3 (0.41) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL5032584 0.79 HCRTR1 (0.41) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL5035027 0.78 HTR2C (0.48) CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371751-B2 Thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-13 US claimed
EP-1694673-B1 THIAZOLE DERIVATES HOFFMANN LA ROCHE (CH) 2008-01-16 EP claimed
US-20050153962-A1 Thiazole derivatives HOFFMANN-LA ROCHE INC. 2005-07-14 US claimed
US-7371751-B2 Thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-13 US disclosed
US-7371751-B2 Thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-13 US disclosed
EP-1694673-B1 THIAZOLE DERIVATES HOFFMANN LA ROCHE (CH) 2008-01-16 EP disclosed
US-20050153962-A1 Thiazole derivatives HOFFMANN-LA ROCHE INC. 2005-07-14 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-20050153962-A1 Thiazole derivatives CNR1, CNR2, GPR119 TRPC3 151/4885TRPC6 297/4885TRPA1 23/4885

“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.