SCHEMBL3836713

SCHEMBL3836713

COc1c(Cl)ccc(-c2cc(NC(C)=O)c(Cl)c(C(=O)O)n2)c1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ADORA3 P0DMS8 6/20 0.36
ADORA2A P29274 2/20 0.36
ADORA2B P29275 2/20 0.36
KMO O15229 1/20 0.35
TSHR P16473 1/20 0.34
NUDT1 P36639 1/20 0.34
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
CNR1 P21554 1/20 0.33

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
SCHEMBL1919622 0.88 ALDH1A1 (0.38) ALDH1A1KDM4EHSD17B10ADORA3ADORA2A
SCHEMBL3859281 0.87 HSD17B10 (0.38) ALDH1A1KDM4EHSD17B10ADORA3ADORA2A
SCHEMBL17797240 0.86 ALDH1A1 (0.37) ALDH1A1KDM4EHSD17B10ADORA3ADORA2A
SCHEMBL3841889 0.84 ALOX5AP (0.39) KDM4EHSD17B10ADORA3ADORA2AADORA2B
SCHEMBL3841986 0.82 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10KMOTSHR
SCHEMBL3331762 0.82 ALDH1A1 (0.46) ALDH1A1KDM4EADORA3ADORA2AADORA2B
SCHEMBL3842956 0.81 ADORA3 (0.36) ALDH1A1KDM4EHSD17B10ADORA3ADORA2A
SCHEMBL28774834 0.80 RORC (0.40) ALDH1A1KDM4EHSD17B10ADORA3GAA
SCHEMBL3840756 0.80 CLCN2 (0.35) ALDH1A1KDM4EHSD17B10ADORA3ADORA2A
SCHEMBL1918400 0.80 ALDH1A1 (0.43) ALDH1A1ADORA3ADORA2AADORA2BTSHR

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 11 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
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
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 ALDH1A1 1065/4885KDM4E 672/4885HSD17B10 2174/4885
US-20070179060-A1 6-(Poly-substituted aryl)-4-aminopicolinates and their use as herbicides AAAS, DDT, AADAC ALDH1A1 1065/4885KDM4E 672/4885HSD17B10 2174/4885
US-20080051596-A1 6-(poly-substituted aryl)-4-aminopicolinates and their use as herbicides AAAS, DDT, AADAC ALDH1A1 1065/4885KDM4E 672/4885HSD17B10 2174/4885

“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.