SCHEMBL25968786

SCHEMBL25968786

Cc1c([C@@H](C)O)cnn(Cc2nc(CCc3ccc(Cl)cc3)no2)c1=O

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 17/20 0.52

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
SCHEMBL31524009 1.00 TRPA1 (0.52) TRPA1
SCHEMBL25968783 1.00 TRPA1 (0.52) TRPA1
SCHEMBL25968850 0.92 TRPA1 (0.49) TRPA1
SCHEMBL25969401 0.92 TRPA1 (0.49) TRPA1
SCHEMBL31523822 0.92 TRPA1 (0.49) TRPA1
SCHEMBL25968929 0.87 TRPA1 (0.56) TRPA1
SCHEMBL25968928 0.87 TRPA1 (0.56) TRPA1
SCHEMBL31523798 0.85 TRPA1 (0.58) TRPA1
SCHEMBL25971833 0.85 TRPA1 (0.58) TRPA1
SCHEMBL25974547 0.85 TRPA1 (0.58) 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-20250154139-A1 PYRIDAZINONE COMPOUNDS AS TRPA1 INHIBITORS D. E. SHAW RESEARCH, LLC 2025-05-15 US disclosed
WO-2023150591-A2 PYRIDAZINONE COMPOUNDS AS TRPA1 INHIBITORS D.E. SHAW RESEARCH, LLC (US) 2023-08-10 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-20250154139-A1 PYRIDAZINONE COMPOUNDS AS TRPA1 INHIBITORS TRPA1, TRPV1, TRPV5 TRPA1 1/4885

“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.