SCHEMBL694228

SCHEMBL694228

COc1c(Cl)ccc(-c2cc(N)c(Cl)c(C(=O)NOCc3ccccc3)n2)c1F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.42
FEN1 P39748 1/20 0.42
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
PTGS2 P35354 1/20 0.39
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
GPR183 P32249 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL694177 0.93 RAB9A (0.40) ALOX5APFEN1NPC1RAB9ACA1
SCHEMBL693814 0.93 ATM (0.37) ALOX5APFEN1NPC1RAB9AATM
SCHEMBL694488 0.92 ATM (0.42) ALOX5APFEN1NPC1RAB9APTGS2
SCHEMBL695093 0.92 NPC1 (0.40) NPC1RAB9AATML3MBTL1ALDH1A1
SCHEMBL693573 0.88 ALDH1A1 (0.37) ALOX5APFEN1TAS1R3TAS1R1TAS1R2
SCHEMBL694608 0.88 KLKB1 (0.32) ALOX5APFEN1NPC1RAB9A
SCHEMBL694248 0.88 MEP1B (0.35) RAB9ATAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL694666 0.88 MEP1B (0.35) TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL11940261 0.87 ALOX5AP (0.44) ALOX5APFEN1ALDH1A1
SCHEMBL693815 0.87 ALDH1A1 (0.35) RAB9ATAS1R3TAS1R1TAS1R2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889694-B2 N-alkoxyamides of 6-(substituted phenyl)-4-aminopicolinates and 2-(substituted phenyl)-6-amino-4-pyrimidinecarboxylates and their use as selective herbicides for crops DOW AGROSCIENCES, LLC. (US) 2014-11-18 US claimed
US-8889694-B2 N-alkoxyamides of 6-(substituted phenyl)-4-aminopicolinates and 2-(substituted phenyl)-6-amino-4-pyrimidinecarboxylates and their use as selective herbicides for crops DOW AGROSCIENCES, LLC. (US) 2014-11-18 US disclosed
US-8889694-B2 N-alkoxyamides of 6-(substituted phenyl)-4-aminopicolinates and 2-(substituted phenyl)-6-amino-4-pyrimidinecarboxylates and their use as selective herbicides for crops DOW AGROSCIENCES, LLC. (US) 2014-11-18 US disclosed
EP-2421832-B1 N-ALKOXYAMIDES OF 6-(SUBSTITUTED PHENYL)-4-AMINOPICOLINATES AND 2-(SUBSTITUTED PHENYL)-6-AMINO-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS SELECTIVE HERBICIDES FOR CROPS DOW AGROSCIENCES LLC (US) 2013-12-18 EP disclosed
US-20130324412-A1 N-ALKOXYAMIDES OF 6-(SUBSTITUTED PHENYL)-4-AMINOPICOLINATES AND 2-(SUBSTITUTED PHENYL)-6-AMINO-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS SELECTIVE HERBICIDES FOR CROPS DOW AGROSCIENCES LLC (US) 2013-12-05 US disclosed
US-8536331-B2 N-alkoxyamides of 6-(trisubstituted phenyl)-4-aminopicolinates and their use as selective herbicides for crops DOW AGROSCIENCES, LLC. (US) 2013-09-17 US disclosed
US-8536331-B2 N-alkoxyamides of 6-(trisubstituted phenyl)-4-aminopicolinates and their use as selective herbicides for crops DOW AGROSCIENCES, LLC. (US) 2013-09-17 US disclosed
US-8536331-B2 N-alkoxyamides of 6-(trisubstituted phenyl)-4-aminopicolinates and their use as selective herbicides for crops DOW AGROSCIENCES, LLC. (US) 2013-09-17 US disclosed
EP-2421832-A1 N-ALKOXYAMIDES OF 6-(SUBSTITUTED PHENYL)-4-AMINOPICOLINATES AND 2-(SUBSTITUTED PHENYL)-6-AMINO-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS SELECTIVE HERBICIDES FOR CROPS Dow AgroSciences LLC (US) 2012-02-29 EP disclosed
WO-2010099279-A1 N-ALKOXYAMIDES OF 6-(SUBSTITUTED PHENYL)-4-AMINOPICOLINATES AND 2-(SUBSTITUTED PHENYL)-6-AMINO-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS SELECTIVE HERBICIDES FOR CROPS DOW AGROSCIENCES LLC (US) 2010-09-02 WO disclosed
US-20100222221-A1 N-ALKOXYAMIDES OF 6-(TRISUBSTITUTED PHENYL)-4-AMINOPICOLINATES AND THEIR USE AS SELECTIVE HERBICIDES FOR CROPS DOW AGROSCIENCES LLC (US) 2010-09-02 US disclosed
US-20100222221-A1 N-ALKOXYAMIDES OF 6-(TRISUBSTITUTED PHENYL)-4-AMINOPICOLINATES AND THEIR USE AS SELECTIVE HERBICIDES FOR CROPS DOW AGROSCIENCES LLC (US) 2010-09-02 US disclosed
US-20100222221-A1 N-ALKOXYAMIDES OF 6-(TRISUBSTITUTED PHENYL)-4-AMINOPICOLINATES AND THEIR USE AS SELECTIVE HERBICIDES FOR CROPS DOW AGROSCIENCES LLC (US) 2010-09-02 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 (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-20100222221-A1 N-ALKOXYAMIDES OF 6-(TRISUBSTITUTED PHENYL)-4-AMINOPICOLINATES AND THEIR USE AS SELECTIVE HERBICIDES FOR CROPS HASPIN, NOTUM, CANX ALOX5AP 702/4885FEN1 4536/4885NPC1 4099/4885
US-20130324412-A1 N-ALKOXYAMIDES OF 6-(SUBSTITUTED PHENYL)-4-AMINOPICOLINATES AND 2-(SUBSTITUTED PHENYL)-6-AMINO-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS SELECTIVE HERBICIDES FOR CROPS NPEPPS, DNPEP, HASPIN ALOX5AP 695/4885FEN1 4358/4885NPC1 4374/4885

“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.