SCHEMBL342336

SCHEMBL342336

O=C1NC2(CCCC2)C(=O)C1c1c(Br)cc(OC(F)(F)F)cc1Br

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.32
SCN9A Q15858 2/20 0.31
ADCYAP1R1 P41586 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL342317 0.84 PDE7A (0.37) CES1SCN9AADCYAP1R1SLC6A2SLC6A4
SCHEMBL342247 0.81 CES1 (0.31) CES1
SCHEMBL6994973 0.70 PDE7A (0.42)
SCHEMBL5437164 0.69 KMT2A (0.38)
SCHEMBL10212016 0.69 ACACB (0.35) CES1SCN9A
SCHEMBL1721097 0.69 MAPT (0.35)
SCHEMBL8645554 0.67 KMT2A (0.38)
SCHEMBL8652013 0.66 KMT2A (0.40)
SCHEMBL3176738 0.65 PDE7A (0.35)
SCHEMBL343189 0.65 FFAR4 (0.33) CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507537-B2 Trifluromethoxyphenyl-substituted tetramic acid derivatives pesticides and/or herbicides BAYER CROPSCIENCE AG (DE) 2013-08-13 US disclosed
US-20120015807-A1 Trifluromethoxyphenyl-Substituted Tetramic Acid Derivatives Pesticides and/or Herbicides BAYER CROPSCIENCE AG (DE) 2012-01-19 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 (1 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-20120015807-A1 Trifluromethoxyphenyl-Substituted Tetramic Acid Derivatives Pesticides and/or Herbicides DDT, PTPRG, SLC1A5 CES1 2170/4885SCN9A 1643/4885ADCYAP1R1 4529/4885

“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.