SCHEMBL2468412

SCHEMBL2468412

Nc1cc(-c2ccc(OC(F)(F)F)cc2)nc(C(=O)O)c1Cl

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.55
ADORA3 P0DMS8 1/20 0.46
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46
AURKA O14965 1/20 0.43
TPX2 Q9ULW0 1/20 0.43
SCN9A Q15858 2/20 0.43
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SCN10A Q9Y5Y9 2/20 0.42
PPARD Q03181 2/20 0.41
ACP1 P24666 1/20 0.41
PIM1 P11309 1/20 0.40
KMO O15229 1/20 0.40
EIF4E P06730 1/20 0.39
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39

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
SCHEMBL2469959 0.88 ADORA3 (0.50) DHODHADORA3SCN9AMAPTMAPK1
SCHEMBL2468415 0.84 DHODH (0.51) DHODHADORA3AKR1C2AKR1C1AURKA
SCHEMBL3324372 0.83 CASP1 (0.47) DHODHADORA3SCN9AMAPT
SCHEMBL2467819 0.83 KDM4E (0.52) ADORA3MAPT
SCHEMBL16075389 0.82 GRM2 (0.42) DHODHSCN9AMAPK1RECQLEIF4E
SCHEMBL2466881 0.81 DHODH (0.49) DHODHADORA3SCN9AMAPTKMO
SCHEMBL2468156 0.81 CTRC (0.51) DHODHADORA3MAPTKMO
SCHEMBL31721555 0.80 DHODH (0.49) DHODHADORA3AKR1C2AKR1C1AURKA
SCHEMBL3329998 0.80 CTRC (0.54) DHODHMAPTL3MBTL1
SCHEMBL2469999 0.80 MAP2K3 (0.51) DHODHADORA3MAPTL3MBTL1

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 DHODH 237/4885ADORA3 3808/4885AKR1C2 1780/4885
US-20030114311-A1 6-Aryl-4-aminopicolinates and their use as herbicides AADAC, DDT, AADAT DHODH 2462/4885ADORA3 244/4885AKR1C2 2705/4885
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 DHODH 237/4885ADORA3 3808/4885AKR1C2 1780/4885

“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.