SCHEMBL2137670

SCHEMBL2137670

COC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)cc(NCc2ccco2)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.44
AQP1 P29972 1/20 0.42
POLB P06746 4/20 0.41
MAPT P10636 3/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 7/20 0.40
HSD17B10 Q99714 4/20 0.40
KDM4E B2RXH2 3/20 0.40
USP2 O75604 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TSHR P16473 2/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
GAA P10253 1/20 0.40
APEX1 P27695 1/20 0.40
HPGD P15428 5/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL12786051 0.91 APP (0.44) APPAQP1POLBMAPTL3MBTL1
SCHEMBL12974431 0.90 APP (0.45) APPAQP1POLBMAPTL3MBTL1
SCHEMBL2140353 0.89 APP (0.43) APPAQP1POLBMAPTRAB9A
SCHEMBL2136110 0.89 APP (0.43) APPAQP1POLBMAPTL3MBTL1
SCHEMBL10206317 0.88 APP (0.45) APPAQP1POLBMAPTRAB9A
SCHEMBL2138062 0.85 APP (0.42) APPAQP1POLBMAPTRAB9A
SCHEMBL11902544 0.85 APP (0.42) APPAQP1POLBMAPTRAB9A
SCHEMBL2138077 0.85 APP (0.42) APPAQP1POLBMAPTRAB9A
SCHEMBL1610274 0.83 ALDH1A1 (0.42) APPPOLBMAPTRAB9AL3MBTL1
SCHEMBL2712090 0.81 APP (0.40) APPAQP1POLBMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445884-B1 4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES SYNGENTA LTD (GB) 2013-02-13 EP disclosed
EP-2445884-B1 4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES SYNGENTA LTD (GB) 2013-02-13 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
EP-2445884-A1 4 -AMINOPICOLINATES AND THEIR USE AS HERBICIDES Syngenta Limited (GB) 2012-05-02 EP disclosed
US-20120100990-A1 4 -AMINOPICOLINATES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-04-26 US disclosed
US-20120100990-A1 4 -AMINOPICOLINATES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-04-26 US disclosed
US-20120100990-A1 4 -AMINOPICOLINATES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-04-26 US disclosed
WO-2010149956-A1 4 -AMINOPICOLINATES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2010-12-29 WO disclosed
WO-2010149956-A1 4 -AMINOPICOLINATES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2010-12-29 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 (2 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 APP 4599/4885AQP1 1915/4885POLB 1342/4885
US-20120100990-A1 4 -AMINOPICOLINATES AND THEIR USE AS HERBICIDES DDT, DAO, NPM1 APP 2550/4885AQP1 1271/4885POLB 3844/4885

“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.