SCHEMBL123990

SCHEMBL123990

COC(F)(F)c1nc2nc(C)c(F)cc2cc1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
GFER P55789 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
HSD17B10 Q99714 2/20 0.31
NOTUM Q6P988 1/20 0.31
SORT1 Q99523 1/20 0.30
EPRS1 P07814 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 0.86 GFER (0.43) ALDH1A1KDM4EGFERMEN1KMT2A
SCHEMBL124252 0.86 GFER (0.31) ALDH1A1GFERMEN1KMT2AKEAP1
SCHEMBL124460 0.86 TSHR (0.33) ALDH1A1KDM4EHPGDGFERMEN1
SCHEMBL127612 0.86 HCAR2 (0.32)
SCHEMBL125211 0.85 TSHR (0.43) ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL124157 0.85 GFER (0.33) GFERNOTUMSORT1
SCHEMBL123356 0.84 MEN1 (0.36) ALDH1A1KDM4EGFERMEN1KMT2A
SCHEMBL3432223 0.84 GFER (0.34) ALDH1A1KDM4EGFERMEN1KMT2A
SCHEMBL124857 0.84 GFER (0.31) ALDH1A1GFERMEN1KMT2AKEAP1
SCHEMBL27838164 0.78 POLB (0.43) ALDH1A1KDM4EHPGDMEN1KMT2A

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 ALDH1A1 677/4885KDM4E 1231/4885HPGD 1999/4885

“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.