SCHEMBL8902897

SCHEMBL8902897

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

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.34
DHODH Q02127 3/20 0.34
BRD4 O60885 1/20 0.33
TACR1 P25103 3/20 0.33
SLC22A12 Q96S37 1/20 0.32
GCGR P47871 1/20 0.32
CASR P41180 1/20 0.32
LDHA P00338 1/20 0.32
KMT2A Q03164 2/20 0.31
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
MEN1 O00255 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
SCHEMBL8900862 0.88 ELANE (0.35) ELANEBRD4CASRKMT2A
SCHEMBL11965018 0.86 MAPT (0.36) ELANEDHODHBRD4TACR1SLC22A12
SCHEMBL8901663 0.85 KDM4E (0.33) ELANEBRD4KMT2AMEN1
SCHEMBL8902356 0.84 HEXA (0.38) ELANEBRD4SLC22A12CASRKMT2A
SCHEMBL8902940 0.84 METAP2 (0.38) ELANEDHODHBRD4TACR1SLC22A12
SCHEMBL11965014 0.84 PTGS2 (0.38) ELANEBRD4TACR1GCGRKMT2A
SCHEMBL8902971 0.83 PDE5A (0.44) TACR1SLC22A12KMT2AIDO1TDO2
SCHEMBL8901653 0.82 PDE5A (0.33) ELANEBRD4CASR
SCHEMBL8903480 0.81 GABRA1 (0.35) ELANEBRD4CASRKMT2AMEN1
SCHEMBL8900968 0.81 ALDH1A1 (0.40) KMT2AMEN1

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 ELANE 3397/4885DHODH 2089/4885BRD4 1433/4885

“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.