SCHEMBL7862414

SCHEMBL7862414

[C-]#[N+]c1ccc(Oc2ccc3c(c2)COB3C)c(CN(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 13/20 0.38
HTR2A P28223 4/20 0.38
KCNH2 Q12809 2/20 0.38
PDE4A P27815 4/20 0.36
PDE4B Q07343 4/20 0.36
PDE4C Q08493 4/20 0.36
PDE4D Q08499 4/20 0.36
SLC6A2 P23975 4/20 0.36
SLC6A3 Q01959 4/20 0.36
SOS1 Q07889 1/20 0.34

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
SCHEMBL7865163 0.88 PDE4B (0.50) PDE4APDE4BPDE4CPDE4D
SCHEMBL7863692 0.88 ROCK2 (0.37) PDE4APDE4BPDE4CPDE4D
SCHEMBL7865866 0.88 PDE4B (0.39) PDE4APDE4BPDE4CPDE4D
SCHEMBL10186853 0.85 PDE4B (0.34) PDE4APDE4BPDE4CPDE4D
SCHEMBL7861154 0.84 PDE4B (0.35) PDE4APDE4BPDE4CPDE4D
SCHEMBL10186839 0.83 PDE4B (0.41) PDE4APDE4BPDE4CPDE4D
SCHEMBL7855587 0.83 SOS1 (0.42) PDE4APDE4BPDE4CPDE4DSOS1
SCHEMBL7855584 0.83 PDE4B (0.33) PDE4APDE4BPDE4CPDE4D
SCHEMBL7862393 0.82 PDE4B (0.43) PDE4APDE4BPDE4CPDE4D
SCHEMBL7865820 0.82 ROCK2 (0.41) PDE4APDE4BPDE4CPDE4D

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-8039450-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2011-10-18 US disclosed
US-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, INC. (US) 2009-11-26 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-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 SLC6A4 4340/4885HTR2A 4122/4885KCNH2 4781/4885

“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.