SCHEMBL124072

SCHEMBL124072

CCN(CC)c1nc2nc(C(F)(F)F)c(C(=O)O)cc2cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 2/20 0.36
SLC16A3 O15427 1/20 0.36
ALOX15 P16050 1/20 0.36
SLC16A1 P53985 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GFER P55789 1/20 0.34
MDM2 Q00987 2/20 0.33
ABCC1 P33527 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
TP53 P04637 1/20 0.30
HTT P42858 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 0.89 MDM2 (0.34) KDM4EALDH1A1SMN1; SMN2HPGDSLC16A3
SCHEMBL126566 0.86 KDM4E (0.46) KDM4EALDH1A1HPGDALOX15NPSR1
SCHEMBL124476 0.86 GFER (0.36) ALDH1A1SMN1; SMN2HPGDGFERMEN1
SCHEMBL122661 0.81 GABRP (0.36) KDM4EGFERNPSR1MEN1KMT2A
SCHEMBL124056 0.79 DGAT1 (0.37) GFER
SCHEMBL126379 0.79 GFER (0.38) KDM4EGFERKEAP1NFE2L2NFKB1
SCHEMBL126280 0.79 GFER (0.43) KDM4EALDH1A1GFERNPSR1MEN1
SCHEMBL126176 0.78 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL122906 0.78 GFER (0.34) KDM4EALDH1A1GFERNPSR1KEAP1
SCHEMBL122027 0.77 GABRP (0.41) 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 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 1231/4885ALDH1A1 677/4885SMN1; SMN2 4050/4885

“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.