SCHEMBL126176

SCHEMBL126176

CCOc1nc2nc(C(F)(F)F)c(C(=O)O)cc2cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.39
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GAA P10253 1/20 0.36
IDO1 P14902 1/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP1A2 P05177 2/20 0.34
GFER P55789 1/20 0.34
KLKB1 P03952 1/20 0.33
MDM2 Q00987 1/20 0.33
CFTR P13569 1/20 0.32
ATF1 P18846 1/20 0.32
NFKB1 P19838 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 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
SCHEMBL124153 0.82 HPD (0.36) KDM4ENPSR1GAAIDO1ALDH1A1
SCHEMBL122661 0.81 GABRP (0.36) KDM4ENPSR1IDO1GFERNFKB1
SCHEMBL126379 0.79 GFER (0.38) KDM4EGFERNFKB1ASPH
SCHEMBL126280 0.79 GFER (0.43) KDM4ENPSR1ALDH1A1GFERKMT2A
SCHEMBL124869 0.79 MAPT (0.40) KDM4ENPSR1L3MBTL1IDO1TSHR
SCHEMBL122906 0.78 GFER (0.34) KDM4ENPSR1ALDH1A1GFERASPH
SCHEMBL124072 0.78 KDM4E (0.36) KDM4ENPSR1L3MBTL1IDO1HSD17B10
SCHEMBL122027 0.77 GABRP (0.41) GFER
SCHEMBL124351 0.77 MDM2 (0.34) KDM4ENPSR1HSD17B10ALDH1A1HPGD
SCHEMBL28008303 0.76 GFER (0.36) KDM4EHSD17B10ALDH1A1HPGDGFER

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 KDM4E 1231/4885NPSR1 683/4885L3MBTL1 2024/4885

“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.