SCHEMBL126304

SCHEMBL126304

Cc1cnc2nc(C(F)(F)F)c(C(=O)O)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.40
ASPH Q12797 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NOTUM Q6P988 1/20 0.36
NFKB1 P19838 5/20 0.36
ATF1 P18846 4/20 0.36
SORT1 Q99523 4/20 0.36
PARP1 P09874 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34

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
Water SCHEMBL28007971 0.85 KDM4E (0.36) KDM4ENFKB1ATF1PARP1XPO1
SCHEMBL121946 0.84 XPO1 (0.42) GFERASPHKDM4ENFKB1ATF1
SCHEMBL129469 0.82 KDM4E (0.57) KDM4ENFKB1ATF1ALDH1A1JUN
SCHEMBL28007966 0.82 ASPH (0.39) GFERASPHKDM4ENFKB1ATF1
SCHEMBL28007979 0.82 ASPH (0.39) GFERASPHKDM4EMEN1KMT2A
SCHEMBL127169 0.82 ATF1 (0.43) GFERASPHNFKB1ATF1XPO1
SCHEMBL28007992 0.82 ASPH (0.36) GFERASPHKDM4ENOTUMNFKB1
Lithium Ion SCHEMBL27855905 0.80 KDM4E (0.55) KDM4ENFKB1ATF1ALDH1A1JUN
SCHEMBL28008298 0.79 DHODH (0.36) GFERASPHKDM4ENFKB1ATF1
SCHEMBL28007962 0.77 MAP4K4 (0.42) GFERKDM4EMEN1KMT2A

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 986/4885ASPH 1434/4885KDM4E 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.