SCHEMBL2467012

SCHEMBL2467012

COC(=O)c1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(N)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.43
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39
GABRA6 Q16445 1/20 0.39
GABRG1 Q8N1C3 1/20 0.39
GABRG3 Q99928 1/20 0.39
GABRQ Q9UN88 1/20 0.39
GPR35 Q9HC97 1/20 0.39
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38

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
SCHEMBL3330135 0.89 CFTR (0.48) CFTRPIK3CDPIK3CAPIK3CGKDM4E
SCHEMBL27922411 0.83 GABRP (0.43) CFTRGABRPGABRDGABRA1GABRB1
SCHEMBL2469753 0.83 NQO2 (0.40) CFTRNQO2KDM4EPKMRCE1
SCHEMBL9939089 0.82 CFTR (0.49) CFTRGABRPGABRDGABRA1GABRB1
SCHEMBL16076562 0.82 MAPT (0.42) PIK3CAKDM4EPKMRCE1MAPT
SCHEMBL3327037 0.81 CFTR (0.48) CFTRGABRPGABRDGABRA1GABRB1
SCHEMBL2469959 0.81 ADORA3 (0.50) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL16037118 0.80 CYP11B2 (0.45) CFTRNOTUMKDM4EPKMRCE1
SCHEMBL29556595 0.80 CYP11B2 (0.45) CFTRNOTUMKDM4EPKMRCE1
SCHEMBL6164582 0.80 NQO2 (0.38) CFTRNQO2KDM4EPKMRCE1

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
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
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 CFTR 1910/4885GABRP 620/4885GABRD 112/4885
US-20030114311-A1 6-Aryl-4-aminopicolinates and their use as herbicides AADAC, DDT, AADAT CFTR 4160/4885GABRP 434/4885GABRD 275/4885
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 CFTR 1910/4885GABRP 620/4885GABRD 112/4885

“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.