SCHEMBL124153

SCHEMBL124153

CCOc1nc2nc(C(F)(F)F)c(C(=O)C3C(=O)CCCC3=O)cc2cc1F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPD P32754 1/20 0.36
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 2/20 0.34
NPSR1 Q6W5P4 1/20 0.32
GAA P10253 1/20 0.30
IDO1 P14902 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
KLKB1 P03952 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
SCHEMBL123947 0.82 HPD (0.40) HPD
SCHEMBL127028 0.82 HPD (0.41) HPD
SCHEMBL126176 0.82 KDM4E (0.39) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL127143 0.82 HPD (0.39) HPDMAPTALDH1A1CYP1A2CYP2C9
SCHEMBL126801 0.78 HPD (0.33) HPDMAPTALDH1A1CYP1A2CYP2C9
SCHEMBL126978 0.75 HPD (0.39) HPDCYP1A2CYP2C9CYP2C19
SCHEMBL125934 0.74 HPGDS (0.42) HPD
SCHEMBL124635 0.74 HPD (0.36) HPD
SCHEMBL122118 0.74 HPD (0.41) HPD
SCHEMBL126125 0.73 HPD (0.46) HPD

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 5 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
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 HPD 239/4885MAPT 4399/4885ALDH1A1 677/4885

“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.