SCHEMBL679679

SCHEMBL679679

COc1c(Cl)ccc(-c2cc(N)c(Cl)c(C(=O)O)n2)c1F.[KH]

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMO O15229 4/20 0.38
MEP1B Q16820 1/20 0.34
ALOX5AP P20292 3/20 0.34
FEN1 P39748 3/20 0.34
HSP90AA1 P07900 2/20 0.33
HSP90AB1 P08238 2/20 0.33
PRKAB2 O43741 2/20 0.33
PRKAG1 P54619 2/20 0.33
PRKAA2 P54646 2/20 0.33
PRKAA1 Q13131 2/20 0.33
PRKAG3 Q9UGI9 2/20 0.33
PRKAG2 Q9UGJ0 2/20 0.33
PRKAB1 Q9Y478 2/20 0.33
TSHR P16473 1/20 0.32
TPMT P51580 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL115379 0.99 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10KMOMEP1B
SCHEMBL29405327 0.99 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10KMOMEP1B
SCHEMBL29349463 0.99 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10KMOMEP1B
Potassium SCHEMBL679681 0.98 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10KMOMEP1B
SCHEMBL679306 0.92 MEP1B (0.38) ALDH1A1KDM4EHSD17B10KMOMEP1B
SCHEMBL16047307 0.91 KMO (0.40) ALDH1A1KDM4EHSD17B10KMOALOX5AP
SCHEMBL694541 0.90 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10KMOHSP90AA1
SCHEMBL29850798 0.90 KMO (0.35) ALDH1A1KDM4EHSD17B10KMOALOX5AP
SCHEMBL14999573 0.89 MEP1B (0.35) ALDH1A1KDM4EHSD17B10KMOMEP1B
SCHEMBL3840682 0.89 PTPN11 (0.37) KMOALOX5APFEN1HSP90AA1HSP90AB1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2514314-B1 Synergistic herbicidal composition containing certain pyridine carboxylic acids and certain cereal and rice herbicides DOW AGROSCIENCES LLC (US) 2016-06-15 EP claimed
US-9253985-B2 Herbicidal composition for tolerant or resistant cereal crops BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-09 US claimed
EP-2926661-A1 Synergistic herbicidal composition containing certain pyridine carboxylic acids and certain cereal and rice herbicides Dow AgroSciences LLC (US) 2015-10-07 EP claimed
EP-2514312-B1 Synergistic herbicidal composition containing certain pyridine or pyrimidine carboxylic acids and certain cereal and rice herbicides DOW AGROSCIENCES LLC (US) 2015-07-08 EP claimed
US-20150175543-A1 SYNERGISTIC HERBICIDAL COMPOSITION CONTAINING CERTAIN PYRIDINE OR PYRIMIDINE CARBOXYLIC ACIDS AND CERTAIN CEREAL AND RICE HERBICIDES DOW AGROSCIENCES LLC 2015-06-25 US claimed
US-20150126367-A1 SYNERGISTIC HERBICIDAL COMPOSITION CONTAINING CERTAIN PYRIDINE OR PYRIMIDINE CARBOXYLIC ACIDS AND CERTAIN CEREAL AND RICE HERBICIDES DOW AGROSCIENCES LLC 2015-05-07 US claimed
US-8785350-B2 Herbicidal compositions for tolerant or resistant soybean crops BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-22 US claimed
EP-2180790-B1 SYNERGISTIC HERBICIDAL COMPOSITION CONTAINING CERTAIN PYRIDINE CARBOXYLIC ACIDS AND CERTAIN CEREAL AND RICE HERBICIDES DOW AGROSCIENCES LLC (US) 2013-11-20 EP claimed
US-20130023413-A1 HERBICIDAL COMPOSITIONS FOR TOLERANT OR RESISTANT SOYBEAN CROPS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-24 US claimed
US-20110294663-A1 Herbicidal composition for tolerant or resistant corn crops BAYER CROPSCIENCE AG (DE) 2011-12-01 US claimed
US-20110287933-A1 Herbicidal composition for tolerant or resistant oilseed rape crops BAYER CROPSCIENCE AG (DE) 2011-11-24 US claimed
US-20110287932-A1 HERBICIDAL COMPOSITION FOR TOLERANT OR RESISTANT CEREAL CROPS BAYER CROPSCIENCE AG (DE) 2011-11-24 US claimed
US-20110287934-A1 HERBICIDAL COMPOSITION FOR TOLERANT OR RESISTANT RICE CROPS BAYER CROPSCIENCE AG (DE) 2011-11-24 US claimed
CN-117084250-A Safened herbicidal compositions containing halauxfen and methods of use thereof in brassica species 美国陶氏益农公司 2023-11-21 CN disclosed
CN-109561683-B Safened herbicidal compositions containing halauxfen and methods of use thereof in brassica species 科迪华农业科技有限责任公司 2023-09-22 CN disclosed
CN-113613495-A Compositions comprising fluorochloropyrimidin and other herbicides and methods thereof 美国陶氏益农公司 2021-11-05 CN disclosed
US-20110294663-A1 Herbicidal composition for tolerant or resistant corn crops BAYER CROPSCIENCE AG (DE) 2011-12-01 US disclosed
US-20110287933-A1 Herbicidal composition for tolerant or resistant oilseed rape crops BAYER CROPSCIENCE AG (DE) 2011-11-24 US disclosed
US-20110287932-A1 HERBICIDAL COMPOSITION FOR TOLERANT OR RESISTANT CEREAL CROPS BAYER CROPSCIENCE AG (DE) 2011-11-24 US disclosed
US-20110287934-A1 HERBICIDAL COMPOSITION FOR TOLERANT OR RESISTANT RICE CROPS BAYER CROPSCIENCE AG (DE) 2011-11-24 US 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 (7 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-20110287932-A1 HERBICIDAL COMPOSITION FOR TOLERANT OR RESISTANT CEREAL CROPS CYP8B1, HDHD5, HAGH ALDH1A1 517/4885KDM4E 2638/4885HSD17B10 58/4885
US-20110294663-A1 Herbicidal composition for tolerant or resistant corn crops CRY1, CYP8B1, CNPY2 ALDH1A1 538/4885KDM4E 2437/4885HSD17B10 107/4885
US-20150175543-A1 SYNERGISTIC HERBICIDAL COMPOSITION CONTAINING CERTAIN PYRIDINE OR PYRIMIDINE CARBOXYLIC ACIDS AND CERTAIN CEREAL AND RICE HERBICIDES DHFR, DPYD, DDT ALDH1A1 384/4885KDM4E 1949/4885HSD17B10 949/4885
US-20110287933-A1 Herbicidal composition for tolerant or resistant oilseed rape crops CYP8B1, HDHD5, NCEH1 ALDH1A1 648/4885KDM4E 2292/4885HSD17B10 26/4885
US-20110287934-A1 HERBICIDAL COMPOSITION FOR TOLERANT OR RESISTANT RICE CROPS CYP8B1, DDT, HDHD5 ALDH1A1 450/4885KDM4E 2418/4885HSD17B10 114/4885
US-20130023413-A1 HERBICIDAL COMPOSITIONS FOR TOLERANT OR RESISTANT SOYBEAN CROPS CTH, GGH, CBR3 ALDH1A1 798/4885KDM4E 2699/4885HSD17B10 213/4885
US-20150126367-A1 SYNERGISTIC HERBICIDAL COMPOSITION CONTAINING CERTAIN PYRIDINE OR PYRIMIDINE CARBOXYLIC ACIDS AND CERTAIN CEREAL AND RICE HERBICIDES DHFR, DPYD, DDT ALDH1A1 384/4885KDM4E 1949/4885HSD17B10 949/4885

“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.