SCHEMBL2470387

SCHEMBL2470387

Cc1cc(Cl)ccc1-c1cc(N)c(Cl)c(C(=O)O)n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.43
KMO O15229 2/20 0.41
HSP90AA1 P07900 2/20 0.40
HSP90AB1 P08238 2/20 0.40
CYP3A4 P08684 2/20 0.40
KDM4C Q9H3R0 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
MDM2 Q00987 2/20 0.39
PDE4B Q07343 1/20 0.37
PDE4D Q08499 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
AGPAT2 O15120 1/20 0.36
PIN1 Q13526 1/20 0.36
DHODH Q02127 1/20 0.36
GCK P35557 1/20 0.36
COPS5 Q92905 1/20 0.36
FFAR1 O14842 1/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL2469705 0.89 ALPL (0.47) HSP90AB1CYP3A4TDP1
SCHEMBL9938970 0.87 CYP3A4 (0.46) KMOHSP90AA1HSP90AB1CYP3A4TDP1
SCHEMBL2468344 0.86 HSP90AA1 (0.50) HSP90AA1HSP90AB1CYP3A4DHODHCOPS5
SCHEMBL3325006 0.86 ABL1 (0.46) GRM2HSP90AA1HSP90AB1PDE4BPDE4D
SCHEMBL2469197 0.85 PRKDC (0.46) CYP3A4TDP1
SCHEMBL11907806 0.85 GRM2 (0.44) GRM2KMOHSP90AA1HSP90AB1CYP3A4
SCHEMBL2468069 0.84 KMO (0.53) GRM2KMOHSP90AA1HSP90AB1CYP3A4
SCHEMBL2468289 0.83 AGPAT2 (0.44) CYP3A4PDE4DTDP1AGPAT2DHODH
SCHEMBL2469712 0.83 HSP90AA1 (0.54) HSP90AA1HSP90AB1AGPAT2
SCHEMBL2465852 0.82 PPARA (0.38) KMOHSP90AA1HSP90AB1CYP3A4TDP1

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 GRM2 90/4885KMO 2242/4885HSP90AA1 501/4885
US-20030114311-A1 6-Aryl-4-aminopicolinates and their use as herbicides AADAC, DDT, AADAT GRM2 59/4885KMO 256/4885HSP90AA1 852/4885
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 GRM2 90/4885KMO 2242/4885HSP90AA1 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.