SCHEMBL513273

SCHEMBL513273

COc1cnn(C)c(=O)c1-c1c(C)cc(C)c(Cl)c1C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
ITGA4 P13612 13/20 0.37
ITGB7 P26010 13/20 0.37
KAT2B Q92831 3/20 0.37
BRD9 Q9H8M2 2/20 0.37
ITGB1 P05556 6/20 0.37
ATM Q13315 1/20 0.36
BRD4 O60885 1/20 0.34

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
SCHEMBL509614 0.81 CRHR1 (0.41) ALDH1A1RAB9AITGA4ITGB7ITGB1
SCHEMBL919618 0.76 L3MBTL1 (0.40) ALDH1A1RAB9AITGA4ITGB7ITGB1
SCHEMBL513319 0.76 NMT1 (0.36) ALDH1A1
SCHEMBL466352 0.74 ALDH1A1 (0.55) ALDH1A1RAB9AKAT2BBRD9ATM
SCHEMBL22016864 0.72 ALDH1A1 (0.41) ALDH1A1RAB9AITGA4ITGB7KAT2B
SCHEMBL919619 0.71 ITGA4 (0.49) ITGA4ITGB7ITGB1
SCHEMBL28615978 0.70 ALDH1A1 (0.38) ALDH1A1RAB9AITGA4ITGB7ITGB1
SCHEMBL8280366 0.70 ITGA4 (0.54) ALDH1A1RAB9AITGA4ITGB7ITGB1
SCHEMBL21835475 0.68 MAPT (0.45) ALDH1A1RAB9AITGA4ITGB7ATM
SCHEMBL29384915 0.68 MAPT (0.45) ALDH1A1RAB9AITGA4ITGB7ATM

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028988-A1 USE OF PYRIDAZINONE COMPOUND FOR CONTROL OF HARMFUL ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 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-20120028988-A1 USE OF PYRIDAZINONE COMPOUND FOR CONTROL OF HARMFUL ARTHROPOD PESTS PLPBP, PNPO, PIR ALDH1A1 1293/4885RAB9A 1050/4885ITGA4 1752/4885

“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.