SCHEMBL919079

SCHEMBL919079

Cc1ccc(Br)c(C)c1-c1c(O)cnn(C)c1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 3/20 0.34
BRD4 O60885 3/20 0.34
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
ITGB7 P26010 1/20 0.33
TRPC5 Q9UL62 1/20 0.32
KAT2B Q92831 2/20 0.32
BPTF Q12830 2/20 0.32
PTGS1 P23219 1/20 0.32
MTOR P42345 1/20 0.32
PTGS2 P35354 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
XBP1 P17861 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL919618 0.81 L3MBTL1 (0.40) ITGB1ITGA4ITGB7RAB9ASMN1; SMN2
SCHEMBL3786832 0.76 CUL4A (0.35) BRD9BRD4ITGB1ITGA4ITGB7
SCHEMBL510385 0.74 ACLY (0.35) BRD9BRD4ITGB1ITGA4ITGB7
SCHEMBL11910054 0.72 F7 (0.44) BRD9BRD4ITGB1ITGA4ITGB7
SCHEMBL2608092 0.70 ALDH1A1 (0.39) ALDH1A1
SCHEMBL8281635 0.69 MTOR (0.43) BRD9BRD4TRPC5KAT2BBPTF
SCHEMBL8545709 0.67 BRD9 (0.42) BRD9BRD4TRPC5KAT2BBPTF
SCHEMBL512819 0.67 ITGB1 (0.39) BRD4ITGB1ITGA4ITGB7PTGS2
SCHEMBL31104433 0.65 ESR1 (0.36) BRD9BRD4KAT2BBPTFSMN1; SMN2
SCHEMBL509686 0.65 ITGA4 (0.36) BRD9BRD4ITGB1ITGA4ITGB7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003692-A1 HERBICIDALLY AND INSECTICIDALLY ACTIVE PHENYL-SUBSTITUTED PYRIDAZINONES BAYER CROPSCIENCE AG (DE) 2011-01-06 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 (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-20110003692-A1 HERBICIDALLY AND INSECTICIDALLY ACTIVE PHENYL-SUBSTITUTED PYRIDAZINONES CYP4X1, PRDX1, PNPO BRD9 2376/4885BRD4 1739/4885ITGB1 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.