SCHEMBL117789

SCHEMBL117789

COC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)nc(Cl)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.40
TAS1R1 Q7RTX1 3/20 0.40
MEP1B Q16820 1/20 0.39
ALDH1A1 P00352 6/20 0.37
KDM4E B2RXH2 4/20 0.37
HSD17B10 Q99714 1/20 0.37
ACLY P53396 2/20 0.36
TAS1R2 Q8TE23 2/20 0.36
ALPL P05186 1/20 0.36
PKM P14618 1/20 0.35
RCE1 Q9Y256 1/20 0.35
PTPN1 P18031 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
PDK2 Q15119 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL1114950 0.90 TAS1R3 (0.38) TAS1R3TAS1R1MEP1BALDH1A1KDM4E
SCHEMBL716664 0.90 TAS1R3 (0.38) TAS1R3TAS1R1MEP1BALDH1A1KDM4E
SCHEMBL119850 0.90 ALDH1A1 (0.43) TAS1R3TAS1R1MEP1BALDH1A1KDM4E
SCHEMBL679753 0.89 KDM4E (0.38) TAS1R3TAS1R1MEP1BALDH1A1KDM4E
SCHEMBL29769728 0.89 KDM4E (0.38) TAS1R3TAS1R1MEP1BALDH1A1KDM4E
SCHEMBL11913395 0.87 TAS1R3 (0.36) TAS1R3TAS1R1MEP1BALDH1A1KDM4E
SCHEMBL1115268 0.86 TAS1R3 (0.39) TAS1R3TAS1R1MEP1BALDH1A1KDM4E
SCHEMBL22366793 0.86 ACLY (0.37) TAS1R3TAS1R1MEP1BALDH1A1KDM4E
SCHEMBL1654715 0.86 MEP1B (0.38) TAS1R3TAS1R1MEP1BALDH1A1KDM4E
SCHEMBL1654712 0.86 MEP1B (0.38) TAS1R3TAS1R1MEP1BALDH1A1KDM4E

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488518-A2 HERBICIDAL COMPOUNDS Syngenta Limited (GB) 2012-08-22 EP disclosed
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 US disclosed
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 US disclosed
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 US disclosed
US-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 US disclosed
US-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 US disclosed
US-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 US disclosed
EP-2424367-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION Syngenta Limited (GB) 2012-03-07 EP disclosed
US-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-01 US disclosed
US-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-01 US disclosed
US-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-01 US disclosed
WO-2011045561-A2 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2011-04-21 WO disclosed
WO-2011045561-A2 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2011-04-21 WO disclosed
US-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 US disclosed
US-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 US disclosed
US-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 US disclosed
WO-2010125332-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION SYNGENTA LIMITED (GB) 2010-11-04 WO disclosed
WO-2010092339-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2010-08-19 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 (4 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-20110086759-A1 CHEMICAL COMPOUNDS DDT, PNPO, CBR3 TAS1R3 2253/4885TAS1R1 2136/4885MEP1B 3026/4885
US-20120202690-A1 HERBICIDAL COMPOUNDS DDT, HAO2, HAAO TAS1R3 4361/4885TAS1R1 4355/4885MEP1B 2906/4885
US-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES DPYD, DHODH, TYMP TAS1R3 3047/4885TAS1R1 2947/4885MEP1B 3098/4885
US-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION TYMS, DHFR, UNG TAS1R3 1989/4885TAS1R1 2680/4885MEP1B 4279/4885

“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.