SCHEMBL3783706

SCHEMBL3783706

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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEP1B Q16820 1/20 0.35
▸ ACLY P53396 3/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ PKM P14618 2/20 0.32
▸ RCE1 Q9Y256 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ TAS1R3 Q7RTX0 2/20 0.31
▸ TAS1R1 Q7RTX1 2/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ DPP4 P27487 1/20 0.31
▸ SCN9A Q15858 2/20 0.31
▸ F2 P00734 1/20 0.30
▸ PTGS2 P35354 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
SCHEMBL11902381 1.00 MEP1B (0.35) MEP1BACLYKDM4EPKMRCE1
SCHEMBL718934 0.87 MEP1B (0.36) MEP1BACLYKDM4EPKMRCE1
SCHEMBL718935 0.87 MEP1B (0.36) MEP1BACLYKDM4EPKMRCE1
SCHEMBL720863 0.87 MEP1B (0.36) MEP1BACLYKDM4EPKMRCE1
SCHEMBL11029805 0.87 MEP1B (0.34) MEP1BACLYKDM4EPKMRCE1
SCHEMBL11029803 0.87 MEP1B (0.34) MEP1BACLYKDM4EPKMRCE1
SCHEMBL1918612 0.86 ACLY (0.36) MEP1BACLYKDM4EPKMRCE1
SCHEMBL1918615 0.86 ACLY (0.36) MEP1BACLYKDM4EPKMRCE1
SCHEMBL116824 0.86 MEP1B (0.36) MEP1BACLYKDM4EPKMRCE1
SCHEMBL15183391 0.86 MEP1B (0.38) MEP1BACLYKDM4EPKMRCE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 — — US disclosed
EP-2193120-A1 2-SUBSTITUTED-6-AMINO-5-ALKYL, ALKENYL OR ALKYNYL-4-PYRIMIDINECARBOXYLIC ACIDS AND 6-SUBSTITUTED-4-AMINO-3- ALKYL, ALKENYL OR ALKYNYL PICOLINIC ACIDS AND THEIR USE AS HERBICIDES Dow AgroSciences LLC (US) 2010-06-09 — — EP disclosed
WO-2009046090-A1 2-SUBSTITUTED-6-AMINO-5-ALKYL, ALKENYL OR ALKYNYL-4-PYRIMIDINECARBOXYLIC ACIDS AND 6-SUBSTITUTED-4-AMINO-3- ALKYL, ALKENYL OR ALKYNYL PICOLINIC ACIDS AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2009-04-09 — — 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-20120202690-A1 HERBICIDAL COMPOUNDS DDT, HAO2, HAAO MEP1B 2906/4885ACLY 537/4885KDM4E 3599/4885

“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.

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