SCHEMBL127169

SCHEMBL127169

O=C(O)c1cc2cc(Cl)cnc2nc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATF1 P18846 10/20 0.43
NFKB1 P19838 10/20 0.43
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
XPO1 O14980 4/20 0.39
ASPH Q12797 1/20 0.39
JUN P05412 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
CCR9 P51686 1/20 0.38
GFER P55789 1/20 0.35
CNR2 P34972 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 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
SCHEMBL121946 0.84 XPO1 (0.42) ATF1NFKB1XPO1ASPHJUN
SCHEMBL28007966 0.82 ASPH (0.39) ATF1NFKB1XPO1ASPHJUN
SCHEMBL28007979 0.82 ASPH (0.39) ATF1NFKB1HTTHSD17B10XPO1
SCHEMBL126304 0.82 GFER (0.40) ATF1NFKB1XPO1ASPHJUN
SCHEMBL23119566 0.81 ASPH (0.45) ATF1NFKB1XPO1ASPHJUN
SCHEMBL124767 0.80 KDM4E (0.55) ATF1NFKB1JUNNFKB2RELA
SCHEMBL124761 0.79 ATF1 (0.43) ATF1NFKB1XPO1ASPHJUN
SCHEMBL28007992 0.79 ASPH (0.36) ATF1NFKB1XPO1ASPHJUN
SCHEMBL126978 0.79 HPD (0.39) ATF1NFKB1HTTHSD17B10XPO1
SCHEMBL28007962 0.77 MAP4K4 (0.42) GFER

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 ATF1 3837/4885NFKB1 2092/4885HTT 930/4885

“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.