SCHEMBL679154

SCHEMBL679154

COc1c(Cl)ccc(-c2nc(N)c(Cl)c(C(=O)O)n2)c1F.[KH]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMO O15229 2/20 0.36
MEP1B Q16820 1/20 0.35
DHPS P49366 1/20 0.34
TSHR P16473 1/20 0.33
TPMT P51580 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ACLY P53396 2/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
DPP4 P27487 1/20 0.32
PRKAB2 O43741 1/20 0.32
PRKAG1 P54619 1/20 0.32
PRKAA2 P54646 1/20 0.32
PRKAA1 Q13131 1/20 0.32
PRKAG3 Q9UGI9 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
SCHEMBL678359 0.99 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10KMOMEP1B
SCHEMBL29443526 0.99 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10KMOMEP1B
Potassium SCHEMBL679156 0.98 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10KMOMEP1B
SCHEMBL678756 0.91 MEP1B (0.38) ALDH1A1KDM4EHSD17B10KMOMEP1B
SCHEMBL1397100 0.90 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10KMOMEP1B
SCHEMBL1224599 0.90 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10KMODHPS
SCHEMBL1223251 0.89 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10KMOMEP1B
SCHEMBL12364193 0.89 MEP1B (0.36) ALDH1A1KDM4EHSD17B10MEP1BDHPS
SCHEMBL1918698 0.88 KDM4E (0.40) ALDH1A1KDM4EHSD17B10KMOMEP1B
SCHEMBL679753 0.88 KDM4E (0.38) ALDH1A1KDM4EHSD17B10MEP1BDHPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785350-B2 Herbicidal compositions for tolerant or resistant soybean crops BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-22 US 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
US-9253985-B2 Herbicidal composition for tolerant or resistant cereal crops BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-09 US disclosed
US-8785350-B2 Herbicidal compositions for tolerant or resistant soybean crops BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-22 US disclosed
US-20130023413-A1 HERBICIDAL COMPOSITIONS FOR TOLERANT OR RESISTANT SOYBEAN CROPS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-24 US 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 (5 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-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

“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.