SCHEMBL1424178

SCHEMBL1424178

CCc1cc(N)c(Cl)c(C(=O)O)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.43
CYP3A4 P08684 2/20 0.40
NOS3 P29474 1/20 0.37
NOS2 P35228 1/20 0.37
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36
GABRA4 P48169 2/20 0.36
GABRE P78334 2/20 0.36
GABRA6 Q16445 2/20 0.36
GABRG1 Q8N1C3 2/20 0.36
GABRG3 Q99928 2/20 0.36
GABRQ Q9UN88 2/20 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
SCHEMBL1424343 0.83 TDP1 (0.40) TDP1CYP3A4GABRPGABRDGABRA1
SCHEMBL1424213 0.83 NQO2 (0.43) ALDH1A1SMN1; SMN2
SCHEMBL1424280 0.83 TDP1 (0.40) TDP1CYP3A4ALDH1A1MAPK1SMN1; SMN2
SCHEMBL16862889 0.81 TDP1 (0.41) TDP1CYP3A4NOS3NOS2ALDH1A1
SCHEMBL1424719 0.80 TDP1 (0.40) TDP1CYP3A4ALDH1A1MAPK1SMN1; SMN2
SCHEMBL1424317 0.77 TDP1 (0.47) TDP1CYP3A4ALDH1A1MAPK1SMN1; SMN2
SCHEMBL29390992 0.77 TDP1 (0.50) TDP1CYP3A4ALDH1A1MAPK1SMN1; SMN2
SCHEMBL116082 0.77 TDP1 (0.50) TDP1CYP3A4ALDH1A1MAPK1SMN1; SMN2
SCHEMBL3218994 0.77 TDP1 (0.50) TDP1CYP3A4ALDH1A1MAPK1SMN1; SMN2
Potassium SCHEMBL30575490 0.75 TDP1 (0.48) TDP1CYP3A4ALDH1A1MAPK1SMN1; SMN2

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
US-9603364-B2 4-amino-6-(halo-substituted-alkyl)-picolinates and their use as herbicides DOW AGROSCIENCES LLC (US) 2017-03-28 US disclosed
US-9603364-B2 4-amino-6-(halo-substituted-alkyl)-picolinates and their use as herbicides DOW AGROSCIENCES LLC (US) 2017-03-28 US disclosed
WO-2015099993-A1 4-AMINO-6-(HALO-SUBSTITUTED-ALKYL)-PICOLINATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2015-07-02 WO disclosed
US-20150164074-A1 4-AMINO-6-(HALO-SUBSTITUTED-ALKYL)-PICOLINATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2015-06-18 US disclosed
US-20150164074-A1 4-AMINO-6-(HALO-SUBSTITUTED-ALKYL)-PICOLINATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2015-06-18 US disclosed
EP-1608624-B1 6-ALKYL OR ALKENYL-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2011-03-23 EP disclosed
CN-100519532-C 6-alkyl-or alkenyl-4-aminopicolinates and their use as herbicides DOW AGROSCIENCES LLC (US) 2009-07-29 CN disclosed
US-7432227-B2 6-alkyl or alkenyl-4-aminopicolinates and their use as herbicides DOW AGROSCIENCES LLC (US) 2008-10-07 US disclosed
CN-1764646-A 6-alkyl-or alkenyl-4-aminopicolinates and their use as herbicides DOW AGROSCIENCES LLC (US) 2006-04-26 CN disclosed
EP-1608624-A2 6-ALKYL OR ALKENYL-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES Dow AgroSciences LLC (US) 2005-12-28 EP disclosed
WO-2004089906-A2 6-ALKYL OR ALKENYL-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2004-10-21 WO disclosed
US-20040198608-A1 6-Alkyl or alkenyl-4-aminopicolinates and their use as herbicides CORTEVA AGRISCIENCE LLC 2004-10-07 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 (2 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-20040198608-A1 6-Alkyl or alkenyl-4-aminopicolinates and their use as herbicides AADAC, AASDHPPT, AADAT TDP1 3420/4885CYP3A4 525/4885NOS3 3449/4885
US-20150164074-A1 4-AMINO-6-(HALO-SUBSTITUTED-ALKYL)-PICOLINATES AND THEIR USE AS HERBICIDES SLC6A7, HDHD5, DDT TDP1 2995/4885CYP3A4 591/4885NOS3 4269/4885

“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.