SCHEMBL4927520

SCHEMBL4927520

N#CC=C(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 15/20 0.50
PDE4B Q07343 15/20 0.50
PDE4C Q08493 15/20 0.50
PDE4D Q08499 15/20 0.50
MAPT P10636 1/20 0.49
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
ALPG P10696 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RECQL P46063 1/20 0.39

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
SCHEMBL5948110 0.89 LTA4H (0.52) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL5948108 0.89 LTA4H (0.52) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL5947809 0.87 PARP10 (0.44) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL5947811 0.87 PARP10 (0.44) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL4733996 0.86 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL4733999 0.86 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL4734003 0.86 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL5948079 0.83 PTGS2 (0.63) PDE4APDE4BPDE4CPDE4D
SCHEMBL4918109 0.83 PTGS2 (0.63) PDE4APDE4BPDE4CPDE4D
SCHEMBL5947873 0.83 HDAC2 (0.44) PDE4APDE4BPDE4CPDE4DSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080280904-A1 N-Substituted Pyridinone or Pyrimidinone Compounds Useful as Soluble Epoxide Hydrolase Inhibitors ELDRUP ANNE BETTINA 2008-11-13 US disclosed
EP-1640359-A2 ANTICONVULSANT AND CENTRAL NERVOUS SYSTEM-ACTIVE BIS(FLUOROPHENYL)ALKYLAMIDES NPS PHARMACEUTICALS, INC. (US) 2006-03-29 EP disclosed
EP-1042275-B1 ANTICONVULSANT AND CENTRAL NERVOUS SYSTEM-ACTIVE BIS(FLUOROPHENYL)ALKYLAMIDES NPS PHARMA INC (US) 2005-11-09 EP disclosed
US-20030199589-A1 Anticonvulsant and central nervous system-depressing bis (fluorophenyl) alkylamides and their uses NPS PHARMACEUTICALS, INC. 2003-10-23 US disclosed
US-6617358-B1 Also bis(optionally chloro- or fluoro-substitutedphenyl)alkylcarboxy acids and esters NPS PHARMACEUTICALS, INC. 2003-09-09 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 (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-20080280904-A1 N-Substituted Pyridinone or Pyrimidinone Compounds Useful as Soluble Epoxide Hydrolase Inhibitors EPHX1, EPHX2, DOHH PDE4A 1208/4885PDE4B 1661/4885PDE4C 1486/4885
US-20030199589-A1 Anticonvulsant and central nervous system-depressing bis (fluorophenyl) alkylamides and their uses GABRE, GABRA2, GABRB2 PDE4A 2909/4885PDE4B 3031/4885PDE4C 3725/4885

“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.