SCHEMBL25970102

SCHEMBL25970102

CNC(=O)c1cnn(Cc2nc(CCc3ccc(Cl)cc3)no2)c(=O)c1C

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 13/20 0.49
CYP1A1 P04798 1/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
P2RX3 P56373 1/20 0.37

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
SCHEMBL25968787 0.90 TRPA1 (0.52) TRPA1MAPTHTTSMN1; SMN2NPSR1
SCHEMBL25968853 0.89 TRPA1 (0.51) TRPA1P2RX3
SCHEMBL25970104 0.87 TRPA1 (0.49) TRPA1P2RX3
SCHEMBL25968928 0.84 TRPA1 (0.56) TRPA1MAPTHTTSMN1; SMN2NPSR1
SCHEMBL25968929 0.84 TRPA1 (0.56) TRPA1HTTSMN1; SMN2
SCHEMBL25968920 0.83 TRPA1 (0.52) TRPA1
SCHEMBL25968925 0.82 TRPA1 (0.54) TRPA1
SCHEMBL31524009 0.82 TRPA1 (0.52) TRPA1
SCHEMBL25968786 0.82 TRPA1 (0.52) TRPA1
SCHEMBL25968783 0.82 TRPA1 (0.52) 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 1/4885CYP1A1 407/4885HPGD 813/4885

“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.