SCHEMBL3631065

SCHEMBL3631065

NCc1cccc2cnsc12

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPM5 Q9NZQ8 1/20 0.39
PNMT P11086 3/20 0.36
DPP4 P27487 1/20 0.31
AOC1 P19801 1/20 0.31
AOC3 Q16853 1/20 0.31

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
SCHEMBL17469029 0.81 TRPM5 (0.39) TRPM5
SCHEMBL5439074 0.74 CYP3A4 (0.39) TRPM5
SCHEMBL910839 0.69 KDM4E (0.39) TRPM5
SCHEMBL8071753 0.69 TRPM5 (0.39) TRPM5
SCHEMBL113854 0.68 CYP2A6 (0.46) PNMTDPP4
SCHEMBL3631061 0.67 PLK4 (0.47) TRPM5
SCHEMBL29696556 0.67 PLK4 (0.47) TRPM5
Hydrochloric Acid SCHEMBL2525624 0.67 DAO (0.44) PNMTDPP4
SCHEMBL11382202 0.65 ALDH1A1 (0.46) TRPM5
SCHEMBL30129737 0.65 ALDH1A1 (0.46) TRPM5

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-7674810-B2 1,1-dioxo-1H-1Λ6-benzo[d]isothiazol-3-yl)-4-hydroxy-1,5-dihydro-pyrrol-2-one inhibitors of HCV polymerase ROCHE PALO ALTO LLC (US) 2010-03-09 US disclosed
US-20060252785-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2006-11-09 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-20060252785-A1 Heterocyclic antiviral compounds EIF2AK2, HAVCR2, POLR2E TRPM5 3909/4885PNMT 1559/4885DPP4 1297/4885

“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.