SCHEMBL25969838

SCHEMBL25969838

Nc1cnn(Cc2nc(CCc3ccc(Cl)cc3)no2)c(=O)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 14/20 0.53
HTT P42858 3/20 0.41
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
MITF O75030 1/20 0.38
PKM P14618 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL25970371 0.89 TRPA1 (0.52) TRPA1
SCHEMBL25968925 0.89 TRPA1 (0.54) TRPA1
SCHEMBL25974095 0.89 TRPA1 (0.55) TRPA1HTTALDH1A1RAB9AMEN1
SCHEMBL25969154 0.87 TRPA1 (0.52) TRPA1HTTALDH1A1RAB9AMEN1
SCHEMBL25969660 0.87 TRPA1 (0.53) TRPA1HTTALDH1A1RAB9AMEN1
SCHEMBL25970867 0.87 TRPA1 (0.53) TRPA1HTTALDH1A1RAB9AMEN1
SCHEMBL25970092 0.87 TRPA1 (0.56) TRPA1
SCHEMBL25969149 0.85 TRPA1 (0.52) TRPA1HTTALDH1A1RAB9AMEN1
SCHEMBL25968636 0.84 TRPA1 (0.53) TRPA1HTTALDH1A1RAB9AMEN1
SCHEMBL25968552 0.83 TRPA1 (0.59) 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 1/4885HTT 887/4885ALDH1A1 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.