SCHEMBL3840756

SCHEMBL3840756

COCOc1c(Cl)ccc(-c2cc(NC(C)=O)c(Cl)c(C(=O)O)n2)c1F

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CLCN2 P51788 2/20 0.35
ALDH1A1 P00352 1/20 0.35
RIPK1 Q13546 6/20 0.35
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RORC P51449 1/20 0.34
LMNA P02545 2/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
ABL1 P00519 1/20 0.32
MOK Q9UQ07 1/20 0.32
BRD4 O60885 1/20 0.32
KMO O15229 1/20 0.32

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
SCHEMBL3329191 0.92 ALDH1A1 (0.40) ALDH1A1RIPK1RORCLMNAADORA2A
SCHEMBL28774834 0.91 RORC (0.40) ALDH1A1RIPK1KDM4EHSD17B10RORC
SCHEMBL1919622 0.89 ALDH1A1 (0.38) ALDH1A1RIPK1KDM4EHSD17B10ADORA2A
SCHEMBL3837409 0.88 RORC (0.36) ALDH1A1RIPK1KDM4EHSD17B10RORC
SCHEMBL17797248 0.87 RIPK1 (0.34) CLCN2ALDH1A1RIPK1RORCADORA2A
SCHEMBL2470796 0.86 ALDH1A1 (0.35) ALDH1A1RIPK1RORCADORA2AADORA1
SCHEMBL3324266 0.84 ALDH1A1 (0.41) ALDH1A1RIPK1KDM4ERORCLMNA
SCHEMBL28792444 0.84 RIPK1 (0.35) ALDH1A1RIPK1KDM4EHSD17B10RORC
SCHEMBL2465297 0.84 ALOX5AP (0.38) CLCN2ALDH1A1KDM4EHSD17B10RORC
SCHEMBL3836957 0.83 CYP1A2 (0.38) ALDH1A1KDM4EHSD17B10RORCLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2060566-B1 Poly-substituted aryls DOW AGROSCIENCES LLC (US) 2016-06-08 EP claimed
EP-2060566-B1 Poly-substituted aryls DOW AGROSCIENCES LLC (US) 2016-06-08 EP disclosed
CN-102731382-A 6-(poly-substituted aryl)-4-aminopicolinates and their use as herbicides DOW AGROSCIENCES LLC 2012-10-17 CN disclosed
CN-102731381-A 6-(poly-substituted aryl)-4-aminopicolinates and their use as herbicides DOW AGROSCIENCES LLC 2012-10-17 CN disclosed
CN-101360713-B 6- (polysubstituted aryl) -4-aminopicolinates and their use as herbicides DOW AGROSCIENCES LLC 2012-08-15 CN disclosed
EP-1973881-B1 6-(POLY-SUBSTITUTED ARYL)-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2009-10-28 EP disclosed
EP-2060566-A1 Poly-substituted aryls Dow AgroSciences LLC (US) 2009-05-20 EP disclosed
US-7498468-B2 6-(poly-substituted aryl)-4-aminopicolinates and their use as herbicides DOW AGROSCIENCES LLC (US) 2009-03-03 US disclosed
CN-101360713-A 6- (polysubstituted aryl) -4-aminopicolinates and their use as herbicides DOW AGROSCIENCES LLC (US) 2009-02-04 CN disclosed
EP-1973881-A2 6-(POLY-SUBSTITUTED ARYL)-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES Dow Agrosciences LLC (US) 2008-10-01 EP disclosed
US-20080051596-A1 6-(poly-substituted aryl)-4-aminopicolinates and their use as herbicides DOW AGROSCIENCES LLC (US) 2008-02-28 US disclosed
US-20080045734-A1 6-(poly-substituted aryl)-4-aminopicolinates and their use as herbicides DOW AGROSCIENCES LLC (US) 2008-02-21 US disclosed
US-7314849-B2 6-(poly-substituted aryl)-4-aminopicolinates and their use as herbicides DOW AGROSCIENCES LLC (US) 2008-01-01 US disclosed
US-20070179060-A1 6-(Poly-substituted aryl)-4-aminopicolinates and their use as herbicides CORTEVA AGRISCIENCE LLC 2007-08-02 US disclosed
WO-2007082098-A2 6-(POLY-SUBSTITUTED ARYL)-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2007-07-19 WO 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-20080045734-A1 6-(poly-substituted aryl)-4-aminopicolinates and their use as herbicides AAAS, DDT, AADAC CLCN2 1849/4885ALDH1A1 1065/4885RIPK1 4778/4885
US-20070179060-A1 6-(Poly-substituted aryl)-4-aminopicolinates and their use as herbicides AAAS, DDT, AADAC CLCN2 1849/4885ALDH1A1 1065/4885RIPK1 4778/4885
US-20080051596-A1 6-(poly-substituted aryl)-4-aminopicolinates and their use as herbicides AAAS, DDT, AADAC CLCN2 1849/4885ALDH1A1 1065/4885RIPK1 4778/4885

“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.