SCHEMBL126379

SCHEMBL126379

CC(F)(F)c1nc2nc(C(F)(F)F)c(C(=O)O)cc2cc1F

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.38
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
NOTUM Q6P988 1/20 0.33
ASPH Q12797 2/20 0.33
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
KDM4E B2RXH2 1/20 0.32
KDM8 Q8N371 1/20 0.32
JUN P05412 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32

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
SCHEMBL126280 0.85 GFER (0.43) GFERKEAP1NFE2L2NOTUMASPH
SCHEMBL28008303 0.83 GFER (0.36) GFERKEAP1NFE2L2NOTUMASPH
SCHEMBL122661 0.82 GABRP (0.36) GFERKEAP1NFE2L2NOTUMKDM4E
SCHEMBL124476 0.82 GFER (0.36) GFERKEAP1NFE2L2NOTUMASPH
SCHEMBL125573 0.82 GFER (0.36) GFERKEAP1NFE2L2NOTUMASPH
SCHEMBL123860 0.82 PTPN1 (0.37) GFERKEAP1NFE2L2NOTUMASPH
SCHEMBL124890 0.81 KDM4E (0.50) NR1H2NR1H3KDM4EJUNNFKB1
SCHEMBL122742 0.80 GFER (0.34) GFERKEAP1NFE2L2ASPHKDM4E
SCHEMBL3433966 0.80 GFER (0.34) GFERKEAP1NFE2L2ASPHKDM4E
SCHEMBL123598 0.80 GFER (0.34) GFERKEAP1NFE2L2NOTUM

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102006777-B Herbicidal compounds SYNGENTA LTD 2015-04-01 CN disclosed
US-8461083-B2 Herbicidal compounds SYNGENTA LIMITED (GB) 2013-06-11 US disclosed
EP-2265120-B1 HERBICIDAL COUMPOUNDS SYNGENTA LTD (GB) 2012-03-07 EP disclosed
US-20110021352-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-01-27 US disclosed
EP-2265120-A1 HERBICIDAL COUMPOUNDS Syngenta Limited (GB) 2010-12-29 EP disclosed
WO-2009115788-A1 HERBICIDAL COUMPOUNDS SYNGENTA LIMITED (GB) 2009-09-24 WO 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-20110021352-A1 HERBICIDAL COMPOUNDS RDX, NQO2, DDT GFER 986/4885KEAP1 200/4885NFE2L2 3092/4885

“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.