SCHEMBL2466889

SCHEMBL2466889

Nc1cc(-c2ccc(C(F)(F)F)cc2Cl)nc(C(=O)O)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.45
EIF4E P06730 3/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MRGPRX4 Q96LA9 5/20 0.38
TBK1 Q9UHD2 1/20 0.38
DPP4 P27487 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
SORT1 Q99523 1/20 0.37
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
GLA P06280 1/20 0.37
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 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
SCHEMBL3327037 0.86 CFTR (0.48) NPSR1EIF4EKDM4EMRGPRX4
SCHEMBL3324372 0.83 CASP1 (0.47) HPGDKDM4EALDH1A1HSD17B10
SCHEMBL2466412 0.83 GRM2 (0.43) EIF4EKDM4E
SCHEMBL2468344 0.83 HSP90AA1 (0.50) NPSR1KDM4EALDH1A1
SCHEMBL2466891 0.82 NPSR1 (0.42) NPSR1EIF4EHPGDKDM4EALDH1A1
SCHEMBL30185179 0.82 EIF4E (0.49) NPSR1EIF4EHPGDHSD17B10MRGPRX4
SCHEMBL22366839 0.82 EIF4E (0.49) NPSR1EIF4EHPGDHSD17B10MRGPRX4
SCHEMBL2465717 0.81 EIF4E (0.41) NPSR1EIF4EHPGDALDH1A1HSD17B10
SCHEMBL2465807 0.80 KMO (0.52) KDM4EALDH1A1
SCHEMBL2469723 0.80 CFTR (0.41) KDM4EMRGPRX4JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2939541-A1 HERBICIDE SAFENER COMBINATION Bayer Intellectual Property GmbH (DE) 2015-11-04 EP disclosed
EP-2939540-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
CN-102300459-A Herbicide-safener combination 2011-12-28 CN 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
CN-1245401-C 6-aryl-4-aminopicolinates and their use as herbicides DOW AGROSCIENCES LLC (US) 2006-03-15 CN disclosed
EP-1414814-B1 6-ARYL-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2005-02-02 EP disclosed
CN-1551876-A 6-aryl-4-aminopicolinates and their use as herbicides �ݶ�ũ�����޹�˾ 2004-12-01 CN 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 NPSR1 1850/4885EIF4E 4640/4885HPGD 1988/4885
US-20030114311-A1 6-Aryl-4-aminopicolinates and their use as herbicides AADAC, DDT, AADAT NPSR1 1629/4885EIF4E 4050/4885HPGD 4351/4885
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 NPSR1 1850/4885EIF4E 4640/4885HPGD 1988/4885

“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.