SCHEMBL25342148

SCHEMBL25342148

Cc1c(C(C)(C)O)cn[nH]c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
SLC2A1 P11166 1/20 0.35
HSD17B10 Q99714 2/20 0.33
PARP1 P09874 2/20 0.33
PRKCI P41743 1/20 0.33
PDE4B Q07343 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TIPARP Q7Z3E1 3/20 0.33
HTT P42858 1/20 0.31
PTK2 Q05397 1/20 0.31
CDK8 P49336 1/20 0.31
CDK5 Q00535 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
POLB P06746 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
TRPC5 Q9UL62 1/20 0.30
TNKS O95271 1/20 0.30
TNKS2 Q9H2K2 1/20 0.30

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
SCHEMBL4289372 0.80 ALDH1A1 (0.39) ALDH1A1SLC2A1HSD17B10PARP1PRKCI
SCHEMBL3658974 0.72
SCHEMBL24880080 0.69 CYP19A1 (0.38) ALDH1A1HSD17B10PARP1PRKCIPDE4B
SCHEMBL25767710 0.69 ALDH1A1 (0.37) ALDH1A1SLC2A1HSD17B10PARP1PRKCI
SCHEMBL14347785 0.68 ALDH1A1 (0.41) ALDH1A1SLC2A1HTTPTK2
SCHEMBL1310786 0.68
SCHEMBL12065687 0.68
SCHEMBL25341767 0.68 ALDH1A1 (0.39) ALDH1A1SLC2A1HSD17B10PARP1PRKCI
SCHEMBL25342190 0.68 ALDH1A1 (0.39) ALDH1A1SLC2A1HSD17B10PARP1PRKCI
SCHEMBL26823335 0.68 POLB (0.44) ALDH1A1SLC2A1TIPARPPOLBKDM4E

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 5 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
EP-4472624-A2 PYRIDAZINONE COMPOUNDS AS TRPA1 INHIBITORS D.E. Shaw Research, LLC (US) 2024-12-11 EP disclosed
CN-118973564-A Pyridazinone compounds as TRPA1 inhibitors D·E·萧尔研究有限责任公司 2024-11-15 CN disclosed
WO-2023150591-A2 PYRIDAZINONE COMPOUNDS AS TRPA1 INHIBITORS D.E. SHAW RESEARCH, LLC (US) 2023-08-10 WO 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 ALDH1A1 538/4885SLC2A1 1185/4885HSD17B10 2102/4885

“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.