SCHEMBL11965016

SCHEMBL11965016

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.38
POLB P06746 1/20 0.37
BRD4 O60885 1/20 0.37
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
LDHA P00338 1/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TDP2 O95551 2/20 0.33
TP53 P04637 2/20 0.33
GAA P10253 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 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
SCHEMBL11965005 0.87 KDM4E (0.40) ELANEPOLBBRD4PDE4APDE4B
SCHEMBL11965013 0.84 SMN1; SMN2 (0.41) ELANEBRD4LDHAKDM4EALDH1A1
SCHEMBL11965010 0.83 POLB (0.43) ELANEPOLBBRD4PDE4APDE4B
SCHEMBL11965018 0.81 MAPT (0.36) ELANEBRD4PDE4APDE4BPDE4C
SCHEMBL11965015 0.81 POLB (0.41) ELANEPOLBBRD4PDE4APDE4B
SCHEMBL11965014 0.79 PTGS2 (0.38) ELANEBRD4KDM4EALDH1A1SMN1; SMN2
SCHEMBL8902971 0.78 PDE5A (0.44) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL8902897 0.78 ELANE (0.34) ELANEBRD4LDHAMEN1KMT2A
SCHEMBL8902320 0.77 CMKLR1 (0.35) ELANEPOLBBRD4PDE4APDE4B
SCHEMBL8902940 0.77 METAP2 (0.38) ELANEBRD4KDM4EALDH1A1HPGD

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-8242055-B2 Herbicidally and insecticidally active phenyl-substituted pyridazinones BAYER CROPSCIENCE AG (DE) 2012-08-14 US disclosed
US-20110118118-A1 HERBICIDALLY ACTIVE PHENYL-SUBSTITUTED PYRIDAZINONES BAYER CROPSCIENCE AG (DE) 2011-05-19 US disclosed
US-20100184602-A1 HERBICIDALLY AND INSECTICIDALLY ACTIVE PHENYL-SUBSTITUTED PYRIDAZINONES BAYER CROPSCIENCE AG (DE) 2010-07-22 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 (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 ELANE 3116/4885POLB 1087/4885BRD4 1739/4885
US-20110118118-A1 HERBICIDALLY ACTIVE PHENYL-SUBSTITUTED PYRIDAZINONES PNPO, PDXK, PRDX1 ELANE 2811/4885POLB 451/4885BRD4 2323/4885

“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.