SCHEMBL9728167

SCHEMBL9728167

CC(=O)Nc1cc(F)c(C(F)(F)F)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
KIF11 P52732 1/20 0.41
PTPN5 P54829 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 2/20 0.40
AR P10275 1/20 0.39
MAP2K1 Q02750 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TSHR P16473 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL29556507 1.00 HDAC1 (0.45) HDAC1HDAC6CA1CA2CA9
SCHEMBL8521312 0.89 KIF11 (0.41) HDAC1HDAC6CA1CA2CA9
SCHEMBL30984296 0.86 EPHX2 (0.41) HDAC1HDAC6CA1CA2CA9
SCHEMBL9728256 0.86 HDAC1 (0.43) HDAC1HDAC6CA1CA2CA9
SCHEMBL9728725 0.85 MEN1 (0.44) HDAC1HDAC6CA1CA2CA9
SCHEMBL9728919 0.83 HDAC1 (0.41) HDAC1HDAC6CA1CA2CA9
SCHEMBL12494663 0.81 EPHX1 (0.46) HDAC1HDAC6CA1CA2CA9
SCHEMBL1645001 0.81 HDAC1 (0.53) HDAC1HDAC6CA1CA2CA9
SCHEMBL1192664 0.80 NPSR1 (0.48) CYP1A2CYP2C9CYP2C19ALDH1A1AR
SCHEMBL12493650 0.78 AR (0.46) HDAC1HDAC6CYP2C19AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108689924-B 4-amino-6- (4-substituted phenyl) -pyridine-2-carboxylic acid esters and their use as herbicides 美国陶氏益农公司 2022-04-12 CN disclosed
EP-3440938-A1 4-AMINO-6-(4-SUBSTITUTED-PHENYL)-PICOLINATES AND THEIR USE AS HERBICIDES Dow AgroSciences LLC (US) 2019-02-13 EP disclosed
CN-105163588-B 4-amino-6- (4-substituted phenyl) -pyridine-2-carboxylic acid esters and 6-amino-2- (4-substituted phenyl) -pyrimidine-4-carboxylic acid esters and their use as herbicides 美国陶氏益农公司 2019-01-25 CN disclosed
EP-2967069-B1 4-AMINO-6-(4-SUBSTITUTED-PHENYL)-PICOLINATES AND 6-AMINO-2-(4-SUBSTITUTED-PHENYL)-PYRIMIDINE-4-CARBOXYLATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2018-10-24 EP disclosed
CN-108689924-A 4-amino-6- (4-substituted phenyl) -pyridine-2-carboxylic acid esters and their use as herbicides 美国陶氏益农公司 2018-10-23 CN disclosed
EP-2967069-A1 4-AMINO-6-(4-SUBSTITUTED-PHENYL)-PICOLINATES AND 6-AMINO-2-(4-SUBSTITUTED-PHENYL)-PYRIMIDINE-4-CARBOXYLATES AND THEIR USE AS HERBICIDES Dow AgroSciences LLC (US) 2016-01-20 EP disclosed
US-9113629-B2 4-amino-6-(4-substituted-phenyl)-picolinates and 6-amino-2-(4-substituted-phenyl)-pyrimidine-4-carboxylates and their use as herbicides DOW AGROSCIENCES LLC (US) 2015-08-25 US disclosed
WO-2014150850-A1 4-AMINO-6-(4-SUBSTITUTED-PHENYL)-PICOLINATES AND 6-AMINO-2-(4-SUBSTITUTED-PHENYL)-PYRIMIDINE-4-CARBOXYLATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2014-09-25 WO disclosed
US-20140274696-A1 4-AMINO-6-(4-SUBSTITUTED-PHENYL)-PICOLINATES AND 6-AMINO-2-(4-SUBSTITUTED-PHENYL)-PYRIMIDINE-4-CARBOXYLATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2014-09-18 US disclosed
EP-0246061-B1 A BENZOYLUREA DERIVATIVE AND ITS PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-03-18 EP 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 (1 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-20140274696-A1 4-AMINO-6-(4-SUBSTITUTED-PHENYL)-PICOLINATES AND 6-AMINO-2-(4-SUBSTITUTED-PHENYL)-PYRIMIDINE-4-CARBOXYLATES AND THEIR USE AS HERBICIDES DDT, P2RX6, ABAT HDAC1 3203/4885HDAC6 2833/4885CA1 1252/4885

“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.