SCHEMBL8900869

SCHEMBL8900869

Cc1ccccc1-c1c(O)c(C)nn(CC(F)(F)F)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.40
PTGS2 P35354 1/20 0.38
AURKA O14965 1/20 0.38
SYK P43405 1/20 0.38
AURKB Q96GD4 1/20 0.38
METAP2 P50579 1/20 0.38
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
TACR1 P25103 2/20 0.35
BRD4 O60885 1/20 0.35
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RAB9A P51151 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
MAPK14 Q16539 1/20 0.33

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
SCHEMBL8902940 0.86 METAP2 (0.38) PDE5APTGS2AURKASYKAURKB
SCHEMBL8900875 0.86 HEXA (0.38) PDE5APTGS2AURKASYKAURKB
SCHEMBL8900915 0.84 PTGS2 (0.35) PDE5APTGS2AURKASYKAURKB
SCHEMBL11965004 0.84 PDE4A (0.41) PDE5ABRD4LMNAKDM4ETP53
SCHEMBL8902933 0.83 PTGS2 (0.35) PDE5APTGS2AURKASYKAURKB
SCHEMBL8903094 0.83 GABRA1 (0.35) PDE5APTGS2AURKASYKAURKB
SCHEMBL8900862 0.82 ELANE (0.35) BRD4LMNAKDM4EALDH1A1HSD17B10
SCHEMBL11965006 0.82 PTGS2 (0.40) PDE5APTGS2ESR1BRD4LMNA
SCHEMBL8901048 0.81 POLB (0.47) PDE5ALMNAKDM4EALDH1A1GAA
SCHEMBL8900799 0.79 ALDH1A1 (0.42) PDE5APTGS2BRD4LMNAALDH1A1

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-8188008-B2 Herbicidally and insecticidally active 4-phenyl-substituted pyridazinones BAYER CROPSCIENCE AG (DE) 2012-05-29 US disclosed
US-20100173775-A1 HERBICIDALLY AND INSECTICIDALLY ACTIVE 4-PHENYL-SUBSTITUTED PYRIDAZINONES BAYER CROPSCIENCE AG (DE) 2010-07-08 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-20100173775-A1 HERBICIDALLY AND INSECTICIDALLY ACTIVE 4-PHENYL-SUBSTITUTED PYRIDAZINONES CYP4X1, PRDX4, PRDX1 PDE5A 607/4885PTGS2 1419/4885AURKA 1365/4885

“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.