SCHEMBL3841986

SCHEMBL3841986

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
KMO O15229 1/20 0.38
HSP90AA1 P07900 2/20 0.33
HSP90AB1 P08238 2/20 0.33
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
EIF4E P06730 3/20 0.33
DHODH Q02127 1/20 0.32
TSHR P16473 1/20 0.32
TPMT P51580 1/20 0.32
CYP3A4 P08684 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SCN10A Q9Y5Y9 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
SCHEMBL694541 0.90 ALDH1A1 (0.43) ALDH1A1HSD17B10KDM4EKMOHSP90AA1
SCHEMBL3327659 0.90 KDM4E (0.39) ALDH1A1HSD17B10KDM4EHSP90AA1HSP90AB1
SCHEMBL29349463 0.87 ALDH1A1 (0.40) ALDH1A1HSD17B10KDM4EKMOHSP90AA1
SCHEMBL29405327 0.87 ALDH1A1 (0.40) ALDH1A1HSD17B10KDM4EKMOHSP90AA1
SCHEMBL115379 0.87 ALDH1A1 (0.40) ALDH1A1HSD17B10KDM4EKMOHSP90AA1
Potassium SCHEMBL679681 0.86 ALDH1A1 (0.40) ALDH1A1HSD17B10KDM4EKMOHSP90AA1
SCHEMBL679679 0.86 ALDH1A1 (0.40) ALDH1A1HSD17B10KDM4EKMOHSP90AA1
SCHEMBL2462589 0.86 HSD17B10 (0.37) ALDH1A1HSD17B10KDM4EKMOHSP90AA1
SCHEMBL16047307 0.84 KMO (0.40) ALDH1A1HSD17B10KDM4EKMOHSP90AA1
SCHEMBL2470473 0.83 ALOX5AP (0.47) HSD17B10KMOPRKAB2PRKAG1PRKAA2

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 8 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 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
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

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

“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.