SCHEMBL25968546

SCHEMBL25968546

O=c1c(Cl)ccnn1Cc1nc(C[C@H](O)c2ccc(Br)cc2)no1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 20/20 0.53

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
SCHEMBL25968551 0.91 TRPA1 (0.61) TRPA1
SCHEMBL25968707 0.91 TRPA1 (0.61) TRPA1
SCHEMBL25968549 0.89 TRPA1 (0.55) TRPA1
SCHEMBL25968548 0.89 TRPA1 (0.52) TRPA1
SCHEMBL25968645 0.88 TRPA1 (0.52) TRPA1
SCHEMBL25970857 0.87 TRPA1 (0.49) TRPA1
SCHEMBL25969836 0.87 TRPA1 (0.51) TRPA1
SCHEMBL25970858 0.86 TRPA1 (0.49) TRPA1
SCHEMBL25970854 0.85 TRPA1 (0.49) TRPA1
SCHEMBL25971483 0.84 TRPA1 (0.49) 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.