SCHEMBL2469969

SCHEMBL2469969

COC(=O)c1nc(-c2ccc(Cl)cc2OC)cc(NC(C)=O)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
ADORA3 P0DMS8 3/20 0.46
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
MAPK1 P28482 2/20 0.44
PIK3CA P42336 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
MAPK10 P53779 1/20 0.43
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
SLC9A1 P19634 1/20 0.40
GAA P10253 1/20 0.39
CTSA P10619 1/20 0.39
KCNMA1 Q12791 1/20 0.39
USP2 O75604 1/20 0.39
HTT P42858 1/20 0.39
LPAR1 Q92633 1/20 0.38

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
SCHEMBL6615528 0.91 HSD17B10 (0.47) ALDH1A1ADORA3HSP90AA1HSP90AB1MAPK1
SCHEMBL15063499 0.89 S1PR4 (0.40) ALDH1A1ADORA3MAPK1PIK3CAMAPK8
SCHEMBL2466539 0.86 KDM4E (0.41) ALDH1A1ADORA3MAPK1KDM4EHSD17B10
SCHEMBL2468338 0.86 PKM (0.47) ALDH1A1MAPK1KDM4EHSD17B10KMT2A
SCHEMBL3333162 0.83 ADORA3 (0.58) ALDH1A1ADORA3MAPK1KDM4EHSD17B10
SCHEMBL3329058 0.83 ADORA2A (0.39) ALDH1A1ADORA3MAPK1KDM4EHSD17B10
SCHEMBL3331762 0.83 ALDH1A1 (0.46) ALDH1A1ADORA3KDM4EKMT2AMEN1
SCHEMBL3329878 0.83 ALDH1A1 (0.40) ALDH1A1ADORA3PIK3CAKDM4EHSD17B10
SCHEMBL2462750 0.82 HSP90AA1 (0.53) ALDH1A1HSP90AA1HSP90AB1MAPK1PIK3CA
SCHEMBL16045748 0.82 ALDH1A1 (0.42) ALDH1A1ADORA3KDM4EHSD17B10KMT2A

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-2939540-A1 HERBICIDE SAFENER COMBINATION Bayer Intellectual Property GmbH (DE) 2015-11-04 EP disclosed
EP-2939541-A1 HERBICIDE SAFENER COMBINATION Bayer Intellectual Property GmbH (DE) 2015-11-04 EP disclosed
US-8962523-B2 Herbicide/safener combination BAYER CROPSCIENCE AG (DE) 2015-02-24 US disclosed
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2015-02-19 US disclosed
EP-2369929-A2 HERBICIDE-SAFENER COMBINATION Bayer CropScience AG (DE) 2011-10-05 EP disclosed
WO-2010060581-A2 HERBICIDE-SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2010-06-03 WO disclosed
US-20100137137-A1 HERBICIDE/SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2010-06-03 US disclosed
EP-2191719-A1 Herbicide safener combination Bayer CropScience AG (DE) 2010-06-02 EP disclosed
EP-1414814-B1 6-ARYL-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2005-02-02 EP disclosed
US-6784137-B2 SUCH AS 5,6-DICHLOROPYRIDINE-2-CARBOXYLIC ACID-N-OXIDE FOR PREEMERGENCE APPLICATION DOW AGROSCIENCES LLC 2004-08-31 US disclosed
US-20030114311-A1 6-Aryl-4-aminopicolinates and their use as herbicides CORTEVA AGRISCIENCE LLC 2003-06-19 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 (3 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-20100137137-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 ALDH1A1 209/4885ADORA3 3808/4885HSP90AA1 501/4885
US-20030114311-A1 6-Aryl-4-aminopicolinates and their use as herbicides AADAC, DDT, AADAT ALDH1A1 713/4885ADORA3 244/4885HSP90AA1 852/4885
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 ALDH1A1 209/4885ADORA3 3808/4885HSP90AA1 501/4885

“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.