SCHEMBL3330135

SCHEMBL3330135

COC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)cc(N)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.48
CASP1 P29466 3/20 0.46
ADORA3 P0DMS8 1/20 0.45
MAPT P10636 1/20 0.41
KDM4E B2RXH2 5/20 0.41
PKM P14618 2/20 0.41
RCE1 Q9Y256 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MCHR1 Q99705 1/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CASP7 P55210 1/20 0.39
IKBKB O14920 1/20 0.39
TSHR P16473 1/20 0.39
SCN9A Q15858 2/20 0.39
HTT P42858 1/20 0.38
PIK3CD O00329 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
SCHEMBL2467012 0.89 CFTR (0.43) CFTRMAPTKDM4EPKMRCE1
SCHEMBL2469959 0.87 ADORA3 (0.50) CASP1ADORA3MAPTKDM4EPKM
SCHEMBL2464532 0.86 SMN1; SMN2 (0.48) CASP1ADORA3MAPTKDM4EPKM
SCHEMBL2469806 0.86 KDM4E (0.54) ADORA3MAPTKDM4EPKMRCE1
SCHEMBL9939089 0.86 CFTR (0.49) CFTRMAPTKDM4EPKMRCE1
SCHEMBL16076562 0.86 MAPT (0.42) MAPTKDM4EPKMRCE1PIK3CA
SCHEMBL3327037 0.85 CFTR (0.48) CFTRKDM4EPKMRCE1HTT
SCHEMBL2468294 0.85 MAPT (0.47) ADORA3MAPTKDM4EPKMRCE1
SCHEMBL3324372 0.85 CASP1 (0.47) CASP1ADORA3MAPTKDM4EALDH1A1
SCHEMBL16037118 0.84 CYP11B2 (0.45) CFTRKDM4EPKMRCE1TRPV1

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 9 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
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 CFTR 1910/4885CASP1 763/4885ADORA3 3808/4885
US-20030114311-A1 6-Aryl-4-aminopicolinates and their use as herbicides AADAC, DDT, AADAT CFTR 4160/4885CASP1 1438/4885ADORA3 244/4885
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 CFTR 1910/4885CASP1 763/4885ADORA3 3808/4885

“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.