SCHEMBL2467013

SCHEMBL2467013

COC(=O)c1nc(-c2ccc(Cl)cc2Cl)c(F)c(NC(C)=O)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 15/20 0.46
CNR2 P34972 11/20 0.46
SLC6A3 Q01959 2/20 0.43
EGFR P00533 1/20 0.43
ALOX5 P09917 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
GABRA1 P14867 1/20 0.43
ADRA2C P18825 1/20 0.43
MAPK3 P27361 1/20 0.43
OPRL1 P41146 1/20 0.43
SLC18A2 Q05940 1/20 0.43
MAPK14 Q16539 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
ALPL P05186 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
S1PR4 O95977 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
SCHEMBL6614352 0.89 CNR1 (0.45) CNR1CNR2SLC6A3EGFRALOX5
SCHEMBL15440532 0.84 CNR1 (0.38) CNR1CNR2ADORA3ALPLKDM4E
SCHEMBL2465128 0.83 ALPL (0.44) CNR1CNR2SLC6A3ALPLKDM4E
SCHEMBL15440495 0.76 NPSR1 (0.41) KDM4EMAPK1
SCHEMBL9937769 0.74 ABL1 (0.47) CNR1ALPLKDM4EMAPK1S1PR4
SCHEMBL15440515 0.73 NPSR1 (0.38) KDM4EMAPK1
SCHEMBL28987529 0.73 GRM4 (0.37) CNR1CNR2EGFRADORA3
SCHEMBL22366904 0.73 MRGPRX4 (0.43) GABRA1MAPK1
SCHEMBL30185271 0.73 MRGPRX4 (0.43) GABRA1MAPK1
SCHEMBL3327898 0.72 SMN1; SMN2 (0.46) CNR1SLC6A3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2939540-A1 HERBICIDE SAFENER COMBINATION Bayer Intellectual Property GmbH (DE) 2015-11-04 EP disclosed
EP-2939541-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
US-20030114311-A1 6-Aryl-4-aminopicolinates and their use as herbicides CORTEVA AGRISCIENCE LLC 2003-06-19 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-20100137137-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 CNR1 2114/4885CNR2 1857/4885SLC6A3 572/4885
US-20030114311-A1 6-Aryl-4-aminopicolinates and their use as herbicides AADAC, DDT, AADAT CNR1 1195/4885CNR2 717/4885SLC6A3 36/4885
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 CNR1 2114/4885CNR2 1857/4885SLC6A3 572/4885

“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.