SCHEMBL125428

SCHEMBL125428

CCc1ccc2cc(C(=O)O)c(C(F)(F)F)nc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.39
PARP1 P09874 1/20 0.38
KDM4E B2RXH2 7/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 3/20 0.36
SLC16A3 O15427 1/20 0.36
ALOX15 P16050 1/20 0.36
SLC16A1 P53985 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35

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
SCHEMBL125953 0.87 KDM4E (0.37) GFERKDM4ENPSR1ALDH1A1HPGD
SCHEMBL24357873 0.83 GABRP (0.42) GFERPARP1KDM4ENPSR1ALDH1A1
SCHEMBL125802 0.82 GFER (0.43) GFERKDM4ENPSR1ALDH1A1SORT1
SCHEMBL124869 0.81 MAPT (0.40) GFERKDM4ENPSR1ALDH1A1HPGD
SCHEMBL122983 0.81 TAS2R14 (0.40) GFERKDM4EALDH1A1HPGDHSD17B10
SCHEMBL125060 0.80 GFER (0.39) GFERKDM4ENPSR1ALDH1A1HPGD
SCHEMBL28008297 0.80 GFER (0.39) GFERKDM4ENPSR1ALDH1A1HPGD
SCHEMBL124762 0.79 XPO1 (0.46) GFERKDM4EALDH1A1HPGDHSD17B10
SCHEMBL126118 0.79 GFER (0.39) GFERKDM4EALDH1A1HPGDHSD17B10
SCHEMBL27838153 0.79 TDP1 (0.48) GFERKDM4EALDH1A1HPGDHSD17B10

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 7 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
CN-102006777-A Herbicidal coumpounds SYNGENTA LTD 2011-04-06 CN 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 986/4885PARP1 2978/4885KDM4E 1231/4885

“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.