SCHEMBL3979098

SCHEMBL3979098

COC(=O)c1nc(C(C)=O)cc(N)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 7/20 0.47
NPSR1 Q6W5P4 1/20 0.41
ABL1 P00519 1/20 0.41
KDM4E B2RXH2 7/20 0.40
PKM P14618 3/20 0.40
RCE1 Q9Y256 1/20 0.40
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
PRKD3 O94806 1/20 0.35
MAPK1 P28482 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
PRKD2 Q9BZL6 1/20 0.35
MAPT P10636 3/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL16776830 0.88 NQO2 (0.45) NQO2NPSR1ABL1KDM4EPKM
SCHEMBL3971796 0.84 NPSR1 (0.44) NQO2NPSR1KDM4EPKMRCE1
SCHEMBL16776811 0.84 NQO2 (0.44) NQO2NPSR1ABL1KDM4EPKM
SCHEMBL16812118 0.84 NQO2 (0.44) NQO2NPSR1ABL1KDM4EPKM
SCHEMBL2345279 0.82 NQO2 (0.47) NQO2NPSR1ABL1KDM4EPKM
SCHEMBL29556356 0.82 NQO2 (0.47) NQO2NPSR1ABL1KDM4EPKM
SCHEMBL14354155 0.81 NPSR1 (0.41) NQO2NPSR1ABL1KDM4EPKM
SCHEMBL1424613 0.81 NQO2 (0.46) NQO2NPSR1ABL1KDM4EPKM
SCHEMBL2342277 0.79 NQO2 (0.45) NQO2NPSR1ABL1KDM4EPKM
SCHEMBL1424864 0.79 NQO2 (0.45) NQO2NPSR1ABL1KDM4EPKM

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 17 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
US-9603364-B2 4-amino-6-(halo-substituted-alkyl)-picolinates and their use as herbicides DOW AGROSCIENCES LLC (US) 2017-03-28 US disclosed
EP-3080083-A1 4-AMINO-6-(HALO-SUBSTITUTED-ALKYL)-PICOLINATES AND THEIR USE AS HERBICIDES Dow AgroSciences LLC (US) 2016-10-19 EP 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
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
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-1651607-B1 6-(1,1-DIFLUOROALKYL)-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2009-05-06 EP disclosed
EP-1651607-B1 6-(1,1-DIFLUOROALKYL)-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2009-05-06 EP disclosed
US-7291580-B2 6-(1,1-difluoroalkyl)-4-aminopicolinates and their use as herbicides DOW AGROSCIENCES LLC (US) 2007-11-06 US disclosed
US-7291580-B2 6-(1,1-difluoroalkyl)-4-aminopicolinates and their use as herbicides DOW AGROSCIENCES LLC (US) 2007-11-06 US disclosed
US-7291580-B2 6-(1,1-difluoroalkyl)-4-aminopicolinates and their use as herbicides DOW AGROSCIENCES LLC (US) 2007-11-06 US disclosed
EP-1651607-A1 6-(1,1-DIFLUOROALKYL)-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES Dow AgroSciences LLC (US) 2006-05-03 EP disclosed
WO-2005016887-A1 6-(1,1-DIFLUOROALKYL)-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2005-02-24 WO disclosed
US-20050032651-A1 6-(1,1-Difluoroalkyl)-4-aminopicolinates and their use as herbicides DOW AGROSCIENCES LLC 2005-02-10 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-20050032651-A1 6-(1,1-Difluoroalkyl)-4-aminopicolinates and their use as herbicides DDT, ALDH7A1, DDC NQO2 536/4885NPSR1 2907/4885ABL1 303/4885
US-20150164074-A1 4-AMINO-6-(HALO-SUBSTITUTED-ALKYL)-PICOLINATES AND THEIR USE AS HERBICIDES SLC6A7, HDHD5, DDT NQO2 1456/4885NPSR1 913/4885ABL1 508/4885

“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.