SCHEMBL512819

SCHEMBL512819

Cc1ccc(-c2ccc(Cl)cc2)cc1-c1c(O)cnn(C)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 2/20 0.39
ITGA4 P13612 2/20 0.39
ITGB7 P26010 2/20 0.39
ACACB O00763 5/20 0.38
ACACA Q13085 5/20 0.38
BRD4 O60885 2/20 0.37
ALOX5 P09917 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
JAK2 O60674 1/20 0.35
NTRK1 P04629 1/20 0.35
MET P08581 1/20 0.35
FGFR1 P11362 1/20 0.35
PRKACA P17612 1/20 0.35
KDR P35968 1/20 0.35
MAP2K2 P36507 1/20 0.35
FLT3 P36888 1/20 0.35
GSK3B P49841 1/20 0.35
MAP2K1 Q02750 1/20 0.35
MST1R Q04912 1/20 0.35

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
SCHEMBL11903442 0.78 MAPT (0.44) ITGB1ITGA4ITGB7KCNH2
SCHEMBL11910054 0.76 F7 (0.44) ITGB1ITGA4ITGB7BRD4PTGS2
SCHEMBL2490210 0.73 ITGB1 (0.47) ITGB1ITGA4ITGB7KCNH2COMT
SCHEMBL3064869 0.71 NPC1 (0.41) ITGB1ITGA4ITGB7BRD4PTGS2
SCHEMBL5536077 0.70 ACACB (0.42) ACACBACACAALOX5HTR2CJAK2
SCHEMBL510385 0.69 ACLY (0.35) ITGB1ITGA4ITGB7BRD4
SCHEMBL15282244 0.68 NPC1 (0.40) PTGS2
SCHEMBL470078 0.68 NPC1 (0.36) BRD4MAP2K1KCNH2GRIN2B
SCHEMBL512528 0.68 LMNA (0.37) BRD4
SCHEMBL919079 0.67 BRD9 (0.34) ITGB1ITGA4ITGB7BRD4PTGS2

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 ITGB1 1030/4885ITGA4 1752/4885ITGB7 1518/4885

“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.