SCHEMBL25969052

SCHEMBL25969052

CN(C)c1cnn(Cc2nc(CCc3ccc(Cl)cc3)no2)c(=O)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 13/20 0.53
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
NPBWR1 P48145 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 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
SCHEMBL25969967 0.88 TRPA1 (0.53) TRPA1KMT2A
SCHEMBL25974095 0.86 TRPA1 (0.55) TRPA1ALDH1A1HTTKMT2AMEN1
SCHEMBL25969838 0.84 TRPA1 (0.53) TRPA1ALDH1A1HTTKMT2AMEN1
SCHEMBL25969660 0.84 TRPA1 (0.53) TRPA1ALDH1A1HTTKMT2AMEN1
SCHEMBL25970867 0.84 TRPA1 (0.53) TRPA1ALDH1A1HTTKMT2AMEN1
SCHEMBL25968636 0.84 TRPA1 (0.53) TRPA1ALDH1A1HTTKMT2AMEN1
SCHEMBL25969149 0.82 TRPA1 (0.52) TRPA1ALDH1A1HTTKMT2AMEN1
SCHEMBL25969154 0.82 TRPA1 (0.52) TRPA1ALDH1A1HTTKMT2AMEN1
SCHEMBL25968929 0.82 TRPA1 (0.56) TRPA1ALDH1A1HTTNPBWR1SMN1; SMN2
SCHEMBL25968928 0.82 TRPA1 (0.56) TRPA1ALDH1A1HTTKMT2AMEN1

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 1/4885ALDH1A1 538/4885HTT 887/4885

“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.