SCHEMBL678756

SCHEMBL678756

CCN(CC)CC.COc1c(Cl)ccc(-c2nc(N)c(Cl)c(C(=O)O)n2)c1F

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 1/20 0.38
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
KMO O15229 1/20 0.33
TSHR P16473 1/20 0.32
DHPS P49366 1/20 0.31
DPP4 P27487 1/20 0.31
TSPO P30536 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
SCHEMBL678359 0.92 ALDH1A1 (0.41) MEP1BALDH1A1KDM4EHSD17B10TDP1
SCHEMBL29443526 0.92 ALDH1A1 (0.41) MEP1BALDH1A1KDM4EHSD17B10TDP1
SCHEMBL679154 0.91 ALDH1A1 (0.40) MEP1BALDH1A1KDM4EHSD17B10TDP1
Potassium SCHEMBL679156 0.91 ALDH1A1 (0.40) MEP1BALDH1A1KDM4EHSD17B10TDP1
SCHEMBL1223944 0.85 IKBKB (0.36) ALDH1A1TDP1
SCHEMBL1397100 0.84 ALDH1A1 (0.42) MEP1BALDH1A1KDM4EHSD17B10KMO
SCHEMBL1224599 0.84 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10TDP1KMO
SCHEMBL1918405 0.84 ALDH1A1 (0.38) MEP1BALDH1A1KDM4EHSD17B10KMO
SCHEMBL12364193 0.83 MEP1B (0.36) MEP1BALDH1A1KDM4EHSD17B10TSHR
SCHEMBL1223251 0.83 ALDH1A1 (0.41) MEP1BALDH1A1KDM4EHSD17B10KMO

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 MEP1B 2022/4885ALDH1A1 517/4885KDM4E 2638/4885
US-20110294663-A1 Herbicidal composition for tolerant or resistant corn crops CRY1, CYP8B1, CNPY2 MEP1B 1903/4885ALDH1A1 538/4885KDM4E 2437/4885
US-20110287933-A1 Herbicidal composition for tolerant or resistant oilseed rape crops CYP8B1, HDHD5, NCEH1 MEP1B 1827/4885ALDH1A1 648/4885KDM4E 2292/4885
US-20110287934-A1 HERBICIDAL COMPOSITION FOR TOLERANT OR RESISTANT RICE CROPS CYP8B1, DDT, HDHD5 MEP1B 2191/4885ALDH1A1 450/4885KDM4E 2418/4885
US-20130023413-A1 HERBICIDAL COMPOSITIONS FOR TOLERANT OR RESISTANT SOYBEAN CROPS CTH, GGH, CBR3 MEP1B 2603/4885ALDH1A1 798/4885KDM4E 2699/4885

“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.