SCHEMBL123356

SCHEMBL123356

Cc1nc2nc(C(F)(F)C(F)(F)F)c(C(=O)O)cc2cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GFER P55789 1/20 0.34
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
NOTUM Q6P988 1/20 0.32
SORT1 Q99523 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 2/20 0.30
JUN P05412 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
ASPH Q12797 1/20 0.30
KDM8 Q8N371 1/20 0.30
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30

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 0.89 GFER (0.43) MEN1KMT2AALDH1A1GFERKEAP1
SCHEMBL3432223 0.86 GFER (0.34) MEN1KMT2AALDH1A1GFERKEAP1
SCHEMBL123990 0.84 ALDH1A1 (0.33) MEN1KMT2AALDH1A1GFERKEAP1
SCHEMBL124252 0.81 GFER (0.31) MEN1KMT2AALDH1A1GFERKEAP1
SCHEMBL124857 0.81 GFER (0.31) MEN1KMT2AALDH1A1GFERKEAP1
SCHEMBL124460 0.81 TSHR (0.33) MEN1KMT2AALDH1A1GFERKEAP1
SCHEMBL124157 0.80 GFER (0.33) GFERNOTUMSORT1
SCHEMBL127612 0.78 HCAR2 (0.32)
SCHEMBL126379 0.74 GFER (0.38) GFERKEAP1NFE2L2NOTUMKDM4E
SCHEMBL124786 0.74 KEAP1 (0.35) MEN1KMT2AALDH1A1KEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MEN1 1810/4885KMT2A 1162/4885ALDH1A1 677/4885

“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.