SCHEMBL919619

SCHEMBL919619

COc1cnn(C)c(=O)c1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 18/20 0.49
ITGB7 P26010 18/20 0.49
ITGB1 P05556 8/20 0.49
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43

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
SCHEMBL2490210 0.80 ITGB1 (0.47) ITGA4ITGB7ITGB1
SCHEMBL8280366 0.80 ITGA4 (0.54) ITGA4ITGB7ITGB1
SCHEMBL466352 0.72 ALDH1A1 (0.55)
SCHEMBL513273 0.71 ALDH1A1 (0.40) ITGA4ITGB7ITGB1
SCHEMBL509614 0.71 CRHR1 (0.41) ITGA4ITGB7ITGB1
SCHEMBL4512412 0.68 ITGA4 (0.70) ITGA4ITGB7ITGB1
SCHEMBL4512416 0.68 ITGA4 (0.70) ITGA4ITGB7ITGB1
SCHEMBL10508607 0.67 NPSR1 (0.67)
SCHEMBL466422 0.67 ITGA4 (0.42) ITGA4ITGB7ITGB1
SCHEMBL14844549 0.67 ALDH1A1 (0.56)

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-8242055-B2 Herbicidally and insecticidally active phenyl-substituted pyridazinones BAYER CROPSCIENCE AG (DE) 2012-08-14 US disclosed
US-20110003692-A1 HERBICIDALLY AND INSECTICIDALLY ACTIVE PHENYL-SUBSTITUTED PYRIDAZINONES BAYER CROPSCIENCE AG (DE) 2011-01-06 US disclosed
US-20100184602-A1 HERBICIDALLY AND INSECTICIDALLY ACTIVE PHENYL-SUBSTITUTED PYRIDAZINONES BAYER CROPSCIENCE AG (DE) 2010-07-22 US disclosed
EP-2204366-A1 Herbicidal and insecticidal phenyl-substituted pyridazinones Bayer CropScience AG (DE) 2010-07-07 EP disclosed
WO-2010069526-A1 HERBICIDALLY AND INSECTICIDALLY EFFECTIVE PHENYL-SUBSTITUED PYRIDAZINONES BAYER CROPSCIENCE AG (DE) 2010-06-24 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 (2 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-20100184602-A1 HERBICIDALLY AND INSECTICIDALLY ACTIVE PHENYL-SUBSTITUTED PYRIDAZINONES CYP4X1, PRDX1, PNPO ITGA4 3401/4885ITGB7 2899/4885ITGB1 2829/4885
US-20110003692-A1 HERBICIDALLY AND INSECTICIDALLY ACTIVE PHENYL-SUBSTITUTED PYRIDAZINONES CYP4X1, PRDX1, PNPO ITGA4 3401/4885ITGB7 2899/4885ITGB1 2829/4885

“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.