SCHEMBL3324372

SCHEMBL3324372

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.47
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 2/20 0.43
HPGD P15428 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
IKBKB O14920 1/20 0.42
MCHR1 Q99705 1/20 0.42
MAP4K4 O95819 1/20 0.41
ACHE P22303 1/20 0.41
P2RY14 Q15391 2/20 0.40
PLAU P00749 1/20 0.40
HDAC2 Q92769 1/20 0.40
DHODH Q02127 1/20 0.39
SCN9A Q15858 1/20 0.39
SLC6A2 P23975 1/20 0.39
LTB4R Q15722 2/20 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
SCHEMBL2465807 0.86 KMO (0.52) KDM4EALDH1A1POLB
SCHEMBL3330135 0.85 CFTR (0.48) CASP1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL2466881 0.85 DHODH (0.49) KDM4EALDH1A1ADORA3MAPTACHE
SCHEMBL2468156 0.84 CTRC (0.51) CASP1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL2466889 0.83 NPSR1 (0.45) KDM4EALDH1A1HSD17B10HPGD
SCHEMBL2464553 0.83 KMO (0.44) MAPTACHE
SCHEMBL2468412 0.83 DHODH (0.55) ADORA3MAPTDHODHSCN9A
SCHEMBL3329998 0.83 CTRC (0.54) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL2466331 0.83 MAP2K3 (0.51) CASP1ALDH1A1MAPTDHODH
SCHEMBL2469999 0.83 MAP2K3 (0.51) CASP1KDM4EALDH1A1HPGDADORA3

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 12 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
CN-102300459-A Herbicide-safener combination 2011-12-28 CN 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 CASP1 763/4885KDM4E 4579/4885ALDH1A1 209/4885
US-20030114311-A1 6-Aryl-4-aminopicolinates and their use as herbicides AADAC, DDT, AADAT CASP1 1438/4885KDM4E 969/4885ALDH1A1 713/4885
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 CASP1 763/4885KDM4E 4579/4885ALDH1A1 209/4885

“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.