SCHEMBL125364

SCHEMBL125364

CCOC(=O)c1cc2cc(Br)cnc2nc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
IDO1 P14902 1/20 0.48
NPSR1 Q6W5P4 2/20 0.47
NFKB1 P19838 6/20 0.46
JUN P05412 5/20 0.46
NFKB2 Q00653 5/20 0.46
RELA Q04206 5/20 0.46
MAPT P10636 2/20 0.43
ALDH1A1 P00352 5/20 0.43
HPGD P15428 2/20 0.42
FOS P01100 3/20 0.42
ATF1 P18846 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL129469 0.88 KDM4E (0.57) KDM4EIDO1NPSR1NFKB1JUN
SCHEMBL127025 0.86 KDM4E (0.56) KDM4EIDO1NPSR1NFKB1JUN
Lithium Ion SCHEMBL27855905 0.85 KDM4E (0.55) KDM4EIDO1NPSR1NFKB1JUN
SCHEMBL125342 0.85 KDM4E (0.62) KDM4EIDO1NPSR1NFKB1JUN
SCHEMBL124767 0.85 KDM4E (0.55) KDM4EIDO1NPSR1NFKB1JUN
SCHEMBL17979169 0.84 KDM4E (0.56) KDM4EIDO1NPSR1NFKB1JUN
SCHEMBL28007966 0.80 ASPH (0.39) KDM4ENFKB1JUNNFKB2RELA
SCHEMBL30813138 0.79 KDM4E (0.53) KDM4EIDO1NPSR1NFKB1JUN
SCHEMBL29076961 0.79 KDM4E (0.57) KDM4EIDO1NPSR1NFKB1JUN
SCHEMBL29076968 0.79 KDM4E (0.50) KDM4EIDO1NPSR1NFKB1JUN

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 6 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
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 1231/4885IDO1 948/4885NPSR1 683/4885

“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.