SCHEMBL8901055

SCHEMBL8901055

CCCc1nn(CCc2ccc(Cl)cc2)c(=O)c(-c2ccccc2C)c1O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 4/20 0.39
HRH1 P35367 4/20 0.39
ADRA1B P35368 4/20 0.39
HRH3 Q9Y5N1 3/20 0.38
CASR P41180 3/20 0.37
TRPA1 O75762 2/20 0.35
MAPT P10636 1/20 0.35
MDM2 Q00987 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
TP53 P04637 1/20 0.35
KCNH2 Q12809 1/20 0.35
CASP3 P42574 1/20 0.34
CASP7 P55210 1/20 0.34

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
SCHEMBL8901050 0.93 ADRA1A (0.40) ADRA1AHRH1ADRA1BHRH3CASR
SCHEMBL8903058 0.92 ALDH1A1 (0.40) ADRA1AHRH1ADRA1BTP53
SCHEMBL8902466 0.91 CASR (0.42) CASRPDE4APDE4BPDE4CPDE4D
SCHEMBL8901247 0.88 ADRA1A (0.38) ADRA1AHRH1ADRA1BHRH3CASR
SCHEMBL8902121 0.87 MAPT (0.36) ADRA1AHRH1ADRA1BHRH3MAPT
SCHEMBL8901068 0.87 TP53 (0.40) ADRA1AHRH1ADRA1BCASRTRPA1
SCHEMBL11965017 0.87 PTGS2 (0.38)
SCHEMBL8902645 0.85 TACR1 (0.41) CASP3CASP7
SCHEMBL8901251 0.84 CASR (0.37) ADRA1AHRH1ADRA1BCASRTRPA1
SCHEMBL8901216 0.84 CASR (0.44) CASRPDE4APDE4BPDE4CPDE4D

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 ADRA1A 353/4885HRH1 1824/4885ADRA1B 176/4885

“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.