SCHEMBL126183

SCHEMBL126183

Cc1c(F)cnc2nc(C(F)(F)F)c(C(=O)O)cc12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
ASPH Q12797 2/20 0.39
KDM8 Q8N371 1/20 0.39
GFER P55789 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
NFKB1 P19838 4/20 0.34
JUN P05412 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
DHODH Q02127 3/20 0.34
NOTUM Q6P988 1/20 0.34
AGBL2 Q5U5Z8 1/20 0.34
ATF1 P18846 3/20 0.34
SORT1 Q99523 2/20 0.34
XPO1 O14980 1/20 0.34
IDO1 P14902 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
SCHEMBL27838101 0.84 XPO1 (0.40) KDM4EASPHKDM8GFERNFKB1
SCHEMBL124693 0.84 KDM4E (0.54) KDM4ENPSR1NFKB1JUNNFKB2
SCHEMBL124714 0.80 GFER (0.41) KDM4EASPHGFERNPSR1NFKB1
SCHEMBL126304 0.76 GFER (0.40) KDM4EASPHGFERNFKB1JUN
SCHEMBL121946 0.74 XPO1 (0.42) KDM4EASPHKDM8GFERNFKB1
SCHEMBL126280 0.73 GFER (0.43) KDM4EASPHGFERNPSR1NOTUM
SCHEMBL127157 0.72 KDM4E (0.52) KDM4ENPSR1NFKB1JUNNFKB2
SCHEMBL127169 0.70 ATF1 (0.43) ASPHGFERNFKB1JUNNFKB2
SCHEMBL28007966 0.70 ASPH (0.39) KDM4EASPHGFERNFKB1JUN
SCHEMBL126379 0.70 GFER (0.38) KDM4EASPHKDM8GFERNFKB1

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 KDM4E 1231/4885ASPH 1434/4885KDM8 1408/4885

“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.