SCHEMBL2465707

SCHEMBL2465707

Nc1c(F)c(C(=O)O)nc(-c2ccc(Cl)cc2Cl)c1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.41
CNR2 P34972 7/20 0.41
CFTR P13569 1/20 0.41
ALPL P05186 1/20 0.41
COPS5 Q92905 1/20 0.41
SLC9A5 Q14940 1/20 0.40
SRD5A2 P31213 1/20 0.40
DPP4 P27487 4/20 0.39
CDC7 O00311 2/20 0.39
CCNE1 P24864 2/20 0.39
CDK2 P24941 2/20 0.39
DBF4 Q9UBU7 2/20 0.39
CCNT1 O60563 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CSNK1D P48730 1/20 0.39
CDK9 P50750 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39

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
SCHEMBL2469857 0.91 TDP1 (0.42) CNR1CNR2CFTRALPLCOPS5
SCHEMBL2464681 0.89 KMO (0.47) COPS5CDC7CDK2CSNK1A1CSNK1D
SCHEMBL2469183 0.87 CDC7 (0.42) CNR1CNR2CFTRDPP4CDC7
SCHEMBL2464643 0.83 KMT2A (0.44) CNR1ALPLDPP4
SCHEMBL2465710 0.81 CNR1 (0.43) CNR1CNR2DPP4CDC7CCNE1
SCHEMBL9938756 0.80 TDP1 (0.42) CFTRCOPS5
SCHEMBL2466315 0.80 KMO (0.46) COPS5CDC7CDK2CSNK1A1CSNK1D
SCHEMBL2465128 0.79 ALPL (0.44) CNR1CNR2CFTRALPLSLC9A5
SCHEMBL2469859 0.77 CNR1 (0.43) CNR1CNR2DPP4CDC7CCNE1
SCHEMBL26088334 0.76 TDP1 (0.38) CNR1CFTRCOPS5SLC9A5DPP4

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
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
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
EP-1414814-B1 6-ARYL-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2005-02-02 EP 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 CNR1 2114/4885CNR2 1857/4885CFTR 1910/4885
US-20030114311-A1 6-Aryl-4-aminopicolinates and their use as herbicides AADAC, DDT, AADAT CNR1 1195/4885CNR2 717/4885CFTR 4160/4885
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 CNR1 2114/4885CNR2 1857/4885CFTR 1910/4885

“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.