SCHEMBL124476

SCHEMBL124476

CN(C)c1nc2nc(C(F)(F)F)c(C(=O)O)cc2cc1F

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.36
ATF1 P18846 1/20 0.34
NFKB1 P19838 1/20 0.34
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
LMNA P02545 2/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
NOTUM Q6P988 1/20 0.31
KMT2A Q03164 2/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ASPH Q12797 1/20 0.31
HPGD P15428 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL124351 0.87 MDM2 (0.34) GFERATF1NFKB1KEAP1NFE2L2
SCHEMBL124072 0.86 KDM4E (0.36) GFERATF1NFKB1KEAP1NFE2L2
SCHEMBL124490 0.83 KDM4E (0.47) ATF1NFKB1NPC1RAB9ASMN1; SMN2
SCHEMBL124056 0.82 DGAT1 (0.37) GFER
SCHEMBL126280 0.82 GFER (0.43) GFERKEAP1NFE2L2NOTUMKMT2A
SCHEMBL126379 0.82 GFER (0.38) GFERNFKB1KEAP1NFE2L2NOTUM
SCHEMBL28008303 0.80 GFER (0.36) GFERNFKB1KEAP1NFE2L2NOTUM
SCHEMBL125573 0.78 GFER (0.36) GFERATF1NFKB1KEAP1NFE2L2
SCHEMBL123860 0.78 PTPN1 (0.37) GFERATF1NFKB1KEAP1NFE2L2
SCHEMBL122661 0.78 GABRP (0.36) GFERNFKB1KEAP1NFE2L2NPC1

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 GFER 986/4885ATF1 3837/4885NFKB1 2092/4885

“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.