SCHEMBL25968929

SCHEMBL25968929

Cc1cnn(Cc2nc(CCc3ccc(Cl)cc3)no2)c(=O)c1C

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 15/20 0.56
NPBWR1 P48145 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL25968928 0.91 TRPA1 (0.56) TRPA1NPBWR1ALDH1A1HTTSMN1; SMN2
SCHEMBL25968925 0.89 TRPA1 (0.54) TRPA1NPBWR1
SCHEMBL25970095 0.89 TRPA1 (0.56) TRPA1
SCHEMBL25968920 0.88 TRPA1 (0.52) TRPA1
SCHEMBL25968783 0.87 TRPA1 (0.52) TRPA1
SCHEMBL31524009 0.87 TRPA1 (0.52) TRPA1
SCHEMBL25968786 0.87 TRPA1 (0.52) TRPA1
SCHEMBL25968787 0.87 TRPA1 (0.52) TRPA1HTTSMN1; SMN2
SCHEMBL25970714 0.87 TRPA1 (0.63) TRPA1
SCHEMBL25968782 0.86 TRPA1 (0.51) TRPA1ALDH1A1HTTSMN1; SMN2

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 1/4885NPBWR1 1105/4885ALDH1A1 538/4885

“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.