SCHEMBL3836852

SCHEMBL3836852

COC(=O)c1nc(-c2ccc(Cl)c(C(C)F)c2Cl)cc(NC(C)=O)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
ALPL P05186 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NUDT1 P36639 1/20 0.35
ADORA3 P0DMS8 2/20 0.34
RORC P51449 2/20 0.33
NQO2 P16083 1/20 0.32
SCN9A Q15858 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
RCE1 Q9Y256 1/20 0.32
RECQL P46063 1/20 0.32
LMNA P02545 1/20 0.32
ABL1 P00519 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 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
SCHEMBL3330604 0.93 ALDH1A1 (0.43) ALDH1A1ALPLMEN1KMT2ANUDT1
SCHEMBL3841605 0.89 KDM4E (0.37) ALDH1A1MEN1KMT2ANUDT1RORC
SCHEMBL17797205 0.86 ALDH1A1 (0.38) ALDH1A1ALPLMEN1KMT2ANUDT1
SCHEMBL16047929 0.84 ALDH1A1 (0.41) ALDH1A1ALPLMEN1KMT2ANUDT1
SCHEMBL3329471 0.84 ALDH1A1 (0.39) ALDH1A1ALPLMEN1KMT2ANUDT1
SCHEMBL3329176 0.84 ALPL (0.40) ALDH1A1ALPLKMT2ANQO2SCN10A
SCHEMBL3331762 0.84 ALDH1A1 (0.46) ALDH1A1ALPLMEN1KMT2ANUDT1
SCHEMBL3327361 0.84 ALDH1A1 (0.46) ALDH1A1ALPLMEN1KMT2ANUDT1
SCHEMBL3333268 0.83 ALDH1A1 (0.38) ALDH1A1ALPLMEN1KMT2ANUDT1
SCHEMBL3836545 0.83 ALDH1A1 (0.40) ALDH1A1ALPLMEN1KMT2ANUDT1

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 9 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
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 1065/4885ALPL 3237/4885MEN1 4629/4885
US-20070179060-A1 6-(Poly-substituted aryl)-4-aminopicolinates and their use as herbicides AAAS, DDT, AADAC ALDH1A1 1065/4885ALPL 3237/4885MEN1 4629/4885
US-20080051596-A1 6-(poly-substituted aryl)-4-aminopicolinates and their use as herbicides AAAS, DDT, AADAC ALDH1A1 1065/4885ALPL 3237/4885MEN1 4629/4885

“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.