SCHEMBL25969142

SCHEMBL25969142

O=c1c(Cl)c(CO)cnn1Cc1nc(CCc2ccc(F)cc2)no1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
MITF O75030 1/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TRPA1 O75762 13/20 0.44
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.39
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL25969149 0.92 TRPA1 (0.52) HTTRAB9ATRPA1KMT2AALDH1A1
SCHEMBL25969061 0.90 TRPA1 (0.44) HTTMITFPKMRAB9ANPSR1
SCHEMBL25969147 0.90 ALDH1A1 (0.47) HTTRAB9ANPSR1TRPA1KMT2A
SCHEMBL25969843 0.89 TRPA1 (0.42) HTTMITFPKMRAB9ANPSR1
SCHEMBL25968920 0.82 TRPA1 (0.52) TRPA1
SCHEMBL25969154 0.82 TRPA1 (0.52) HTTMITFPKMRAB9ANPSR1
SCHEMBL25970863 0.80 TRPA1 (0.49) HTTRAB9ATRPA1KMT2AALDH1A1
SCHEMBL25970867 0.79 TRPA1 (0.53) HTTRAB9ATRPA1KMT2AALDH1A1
SCHEMBL25969531 0.79 TRPA1 (0.52) HTTRAB9ATRPA1KMT2AALDH1A1
SCHEMBL25974095 0.79 TRPA1 (0.55) HTTMITFPKMRAB9ANPSR1

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 HTT 887/4885MITF 681/4885PKM 1464/4885

“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.