SCHEMBL721119

SCHEMBL721119

C=Cc1c(OC)nc(-c2ccc(Cl)c(OC)c2F)nc1C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 1/20 0.37
ACLY P53396 4/20 0.35
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
SCN9A Q15858 4/20 0.34
PDCD1LG2 Q9BQ51 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
ALDH1A1 P00352 3/20 0.32
TAS1R2 Q8TE23 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GALK1 P51570 1/20 0.32
PTPN1 P18031 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL116824 0.88 MEP1B (0.36) MEP1BACLYTAS1R3TAS1R1SCN9A
SCHEMBL716664 0.85 TAS1R3 (0.38) MEP1BACLYTAS1R3TAS1R1SCN9A
SCHEMBL2682872 0.81 LRRK2 (0.34) MEP1BTAS1R3TAS1R1SCN9ATAS1R2
SCHEMBL10285748 0.81 MEP1B (0.34) MEP1BPDCD1LG2CD274
SCHEMBL718517 0.80 MEP1B (0.37) MEP1BACLYTAS1R3TAS1R1SCN9A
SCHEMBL117789 0.80 TAS1R3 (0.40) MEP1BACLYTAS1R3TAS1R1ALDH1A1
SCHEMBL10087224 0.79 SMN1; SMN2 (0.39) MEP1BACLYTAS1R3TAS1R1TAS1R2
SCHEMBL1115268 0.79 TAS1R3 (0.39) MEP1BACLYTAS1R3TAS1R1ALDH1A1
SCHEMBL1918801 0.79 KDM4E (0.36) ACLYALDH1A1KDM4ESMN1; SMN2
SCHEMBL1919227 0.79 KDM4E (0.36) ACLYTAS1R3TAS1R1SCN9AALDH1A1

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-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
EP-2396306-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES Syngenta Limited (GB) 2011-12-21 EP disclosed
WO-2010092339-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2010-08-19 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 (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-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES DPYD, DHODH, TYMP MEP1B 3098/4885ACLY 646/4885TAS1R3 3047/4885

“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.