SCHEMBL5032582

SCHEMBL5032582

COc1ccc(N(C(=O)c2ccc(Cl)cc2Cl)c2nc(C(=O)N3CCC[C@@H]3C#N)c(C)s2)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.39
HCRTR2 O43614 5/20 0.39
DPP4 P27487 8/20 0.39
TRPC3 Q13507 3/20 0.36
TRPC6 Q9Y210 3/20 0.36
TRPA1 O75762 1/20 0.36
CACNA1C Q13936 1/20 0.36
SCN5A Q14524 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
TRPV4 Q9HBA0 1/20 0.36
PREP P48147 3/20 0.36
DPP8 Q6V1X1 3/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 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
SCHEMBL5032578 1.00 HCRTR1 (0.39) HCRTR1HCRTR2DPP4TRPC3TRPC6
SCHEMBL14190189 1.00 HCRTR1 (0.39) HCRTR1HCRTR2DPP4TRPC3TRPC6
SCHEMBL5032630 0.91 TRPC3 (0.40) DPP4TRPC3TRPC6TRPA1CACNA1C
SCHEMBL5034821 0.91 TRPC3 (0.40) DPP4TRPC3TRPC6TRPA1CACNA1C
SCHEMBL5032584 0.90 HCRTR1 (0.41) HCRTR1HCRTR2TRPC3TRPC6TRPA1
SCHEMBL14190191 0.87 DPP4 (0.43) DPP4PREPDPP8DPP9DPP7
SCHEMBL5034739 0.87 DPP4 (0.43) DPP4PREPDPP8DPP9DPP7
SCHEMBL5034737 0.87 DPP4 (0.43) DPP4PREPDPP8DPP9DPP7
SCHEMBL5035014 0.85 TRPC3 (0.41) HCRTR1HCRTR2TRPC3TRPC6TRPA1
SCHEMBL5035881 0.85 KMT2A (0.39) HCRTR1HCRTR2

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 8 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
EP-1694673-B1 THIAZOLE DERIVATES HOFFMANN LA ROCHE (CH) 2008-01-16 EP disclosed
EP-1694673-A1 NOVEL THIAZOLE DERIVATES F.HOFFMANN-LA ROCHE AG (CH) 2006-08-30 EP disclosed
US-20050153962-A1 Thiazole derivatives HOFFMANN-LA ROCHE INC. 2005-07-14 US disclosed
WO-2005058887-A1 NOVEL THIAZOLE DERIVATES F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO 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 HCRTR1 6/4885HCRTR2 19/4885DPP4 973/4885

“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.