SCHEMBL2469723

SCHEMBL2469723

Nc1cc(-c2ccc(Cl)cc2C(F)(F)F)nc(C(=O)O)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.41
KDM4C Q9H3R0 1/20 0.41
ACHE P22303 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
MRGPRX4 Q96LA9 2/20 0.38
CYP3A4 P08684 1/20 0.37
SCN9A Q15858 1/20 0.37
GRIK1 P39086 1/20 0.37
KMO O15229 4/20 0.36
JAK2 O60674 1/20 0.36
ATR Q13535 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL9938970 0.84 CYP3A4 (0.46) RAB9ACYP3A4KMOKDM4E
SCHEMBL16036872 0.84 KMO (0.36) CFTRACHECYP3A4SCN9AKMO
SCHEMBL29556579 0.84 KMO (0.36) CFTRACHECYP3A4SCN9AKMO
SCHEMBL2468069 0.83 KMO (0.53) CYP3A4KMOJAK2
SCHEMBL2468344 0.83 HSP90AA1 (0.50) RAB9ACYP3A4KDM4EMEN1KMT2A
SCHEMBL2469724 0.82 ACHE (0.40) CFTRKDM4CACHECYP1A2CYP2D6
SCHEMBL16046079 0.81 CFTR (0.35) CFTRACHEKMOATRMEN1
SCHEMBL2470387 0.81 GRM2 (0.43) KDM4CCYP3A4KMO
SCHEMBL2468289 0.80 AGPAT2 (0.44) CYP3A4JAK2
SCHEMBL2466889 0.80 NPSR1 (0.45) MRGPRX4JAK2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2939541-A1 HERBICIDE SAFENER COMBINATION Bayer Intellectual Property GmbH (DE) 2015-11-04 EP disclosed
EP-2939540-A1 HERBICIDE SAFENER COMBINATION Bayer Intellectual Property GmbH (DE) 2015-11-04 EP disclosed
US-8962523-B2 Herbicide/safener combination BAYER CROPSCIENCE AG (DE) 2015-02-24 US disclosed
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2015-02-19 US disclosed
CN-102300459-A Herbicide-safener combination 2011-12-28 CN disclosed
EP-2369929-A2 HERBICIDE-SAFENER COMBINATION Bayer CropScience AG (DE) 2011-10-05 EP disclosed
WO-2010060581-A2 HERBICIDE-SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2010-06-03 WO disclosed
US-20100137137-A1 HERBICIDE/SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2010-06-03 US disclosed
EP-2191719-A1 Herbicide safener combination Bayer CropScience AG (DE) 2010-06-02 EP disclosed
CN-1245401-C 6-aryl-4-aminopicolinates and their use as herbicides DOW AGROSCIENCES LLC (US) 2006-03-15 CN disclosed
EP-1414814-B1 6-ARYL-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2005-02-02 EP disclosed
CN-1551876-A 6-aryl-4-aminopicolinates and their use as herbicides �ݶ�ũ�����޹�˾ 2004-12-01 CN disclosed
US-6784137-B2 SUCH AS 5,6-DICHLOROPYRIDINE-2-CARBOXYLIC ACID-N-OXIDE FOR PREEMERGENCE APPLICATION DOW AGROSCIENCES LLC 2004-08-31 US disclosed
EP-1414814-A1 6-ARYL-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES Dow Agrosciences LLC (US) 2004-05-06 EP disclosed
US-20030114311-A1 6-Aryl-4-aminopicolinates and their use as herbicides CORTEVA AGRISCIENCE LLC 2003-06-19 US disclosed
WO-2003011853-A1 6-ARYL-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2003-02-13 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-20100137137-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 CFTR 1910/4885KDM4C 3620/4885ACHE 369/4885
US-20030114311-A1 6-Aryl-4-aminopicolinates and their use as herbicides AADAC, DDT, AADAT CFTR 4160/4885KDM4C 371/4885ACHE 292/4885
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 CFTR 1910/4885KDM4C 3620/4885ACHE 369/4885

“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.