SCHEMBL4795499

SCHEMBL4795499

C1=C\c2ccccc2/N=C\c2ccccc2/1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 17/20 0.50
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL4795502 1.00 TRPA1 (0.50) TRPA1GAAMAPT
Hydrochloric Acid SCHEMBL8007872 0.98 TRPA1 (0.48) TRPA1GAAMAPT
Hydrochloric Acid SCHEMBL8007871 0.98 TRPA1 (0.48) TRPA1GAAMAPT
SCHEMBL15075855 0.84
SCHEMBL30691872 0.84 TRPA1 (0.58) TRPA1MAPT
SCHEMBL9926022 0.84 TRPA1 (0.58) TRPA1MAPT
SCHEMBL5050147 0.84 TRPA1 (0.58) TRPA1MAPT
SCHEMBL9926021 0.84 TRPA1 (0.58) TRPA1MAPT
SCHEMBL29633894 0.84
SCHEMBL4462695 0.73 TRPA1 (0.37) TRPA1

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-7417040-B2 Fused tricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US disclosed
US-20050250753-A1 Fused tricyclic compounds as inhibitors of 17beta-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY 2005-11-10 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-20050250753-A1 Fused tricyclic compounds as inhibitors of 17beta-hydroxysteroid dehydrogenase 3 HSD17B3, HSD17B11, HSD17B1 TRPA1 4866/4885GAA 811/4885MAPT 2177/4885

“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.