SCHEMBL13028893

SCHEMBL13028893

Cc1cnccc1C(C)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.33
RPS6KA3 P51812 1/20 0.33
SIRT3 Q9NTG7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LATS1 O95835 3/20 0.32
LATS2 Q9NRM7 2/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL26271984 0.84 SIRT3 (0.36) TRPA1SIRT3TDP1GAA
SCHEMBL23508690 0.79 LATS1 (0.33) LATS1LATS2
SCHEMBL2737302 0.79 RPS6KA3 (0.43) TRPA1RPS6KA3SIRT3TDP1LATS1
SCHEMBL26272349 0.78 HASPIN (0.32) RPS6KA3
SCHEMBL26272345 0.78 TP53 (0.34) RPS6KA3
SCHEMBL10103687 0.78 RPS6KA3 (0.41) RPS6KA3LATS1LATS2
SCHEMBL13186489 0.78 RPS6KA3 (0.41) RPS6KA3LATS1LATS2
SCHEMBL13029049 0.75 SIRT3 (0.38) TRPA1RPS6KA3SIRT3TDP1LATS1
SCHEMBL2892375 0.75 GAA (0.41) TRPA1RPS6KA3SIRT3TDP1LATS1
SCHEMBL20693003 0.72 TRPA1 (0.36) TRPA1RPS6KA3SIRT3TDP1LATS1

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-8440666-B2 Pyridazinone compounds and P2X7 receptor inhibitors NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-05-14 US disclosed
US-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS NISSAN CHEMICAL INDUSTRIES LIMITED 2010-11-11 US 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-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS P2RY1, P2RX7, P2RX1 TRPA1 64/4885RPS6KA3 1965/4885SIRT3 1704/4885

“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.