SCHEMBL3329429

SCHEMBL3329429

Cc1c(F)ccc(-c2cc(N)c(Cl)c(C(=O)O)n2)c1F

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.37
GRIN2B Q13224 12/20 0.36
KMO O15229 2/20 0.36
TDP1 Q9NUW8 1/20 0.34
GRIN1 Q05586 3/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
EPRS1 P07814 1/20 0.33
MDM2 Q00987 1/20 0.33
EIF4E P06730 1/20 0.33

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
SCHEMBL16076603 0.91 CYP3A4 (0.38) CYP3A4GRIN2BKMOTDP1KEAP1
SCHEMBL2469848 0.90 PPARA (0.35) CYP3A4KMOTDP1MDM2EIF4E
SCHEMBL2469709 0.88 CYP3A4 (0.40) CYP3A4GRIN2BKMOTDP1KEAP1
SCHEMBL3332434 0.87 ABL1 (0.37) GRIN2BGRIN1
SCHEMBL20727047 0.86 EIF4E (0.36) CYP3A4KMOTDP1KEAP1NFE2L2
SCHEMBL3840682 0.85 PTPN11 (0.37) CYP3A4KMOTDP1
SCHEMBL16076561 0.85 EIF4E (0.36) CYP3A4KMOTDP1EIF4E
SCHEMBL16076583 0.85 KMO (0.34) CYP3A4KMOTDP1MDM2EIF4E
SCHEMBL2464665 0.84 GRM2 (0.42) CYP3A4KMOTDP1KEAP1NFE2L2
SCHEMBL2468069 0.83 KMO (0.53) CYP3A4GRIN2BKMOTDP1KEAP1

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 6 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 CYP3A4 244/4885GRIN2B 565/4885KMO 2242/4885
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 CYP3A4 244/4885GRIN2B 565/4885KMO 2242/4885

“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.