SCHEMBL4709546

SCHEMBL4709546

COc1cc(N)c(C(=O)c2cccc(C#N)c2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
MAPK14 Q16539 1/20 0.46
VNN1 O95497 2/20 0.45
GSK3B P49841 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
P4HB P07237 3/20 0.43
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
DRD4 P21917 1/20 0.41
DRD5 P21918 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL5034761 0.90 CYP1A2 (0.45) MAPK14VNN1GSK3BALDH1A1LMNA
SCHEMBL4708513 0.84 VNN1 (0.41) KDM4EMAPK14VNN1LMNADRD2
SCHEMBL4707995 0.84 VNN1 (0.41) KDM4EMAPK14VNN1LMNADRD2
SCHEMBL4709037 0.84 VNN1 (0.51) MAPK14VNN1GSK3BALDH1A1LMNA
SCHEMBL4709399 0.84 VNN1 (0.45) KDM4EMAPK14VNN1GSK3BALDH1A1
SCHEMBL9575546 0.83 NPC1 (0.47) MAPK14VNN1GSK3BLMNAL3MBTL1
SCHEMBL27681455 0.83 PARP1 (0.57) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL4709783 0.83 VNN1 (0.52) MAPK14VNN1ALDH1A1LMNAHTT
SCHEMBL4710654 0.81 VNN1 (0.47) VNN1GSK3BALDH1A1LMNAHTT
SCHEMBL5972371 0.80 GSK3B (0.42) KDM4EMAPK14VNN1GSK3BALDH1A1

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-1556055-B1 CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS HAVING A BENZODIAZEPINE STRUCTURE AND THEIR USE IN THERAPY VIA PHARMACEUTICALS INC (US) 2008-10-29 EP disclosed
EP-1556055-B1 CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS HAVING A BENZODIAZEPINE STRUCTURE AND THEIR USE IN THERAPY VIA PHARMACEUTICALS INC (US) 2008-10-29 EP disclosed
US-20060128695-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses NEURO3D (FR) 2006-06-15 US disclosed
EP-1556055-A2 USE OF CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS HAVING A BENZODIAZEPINE STRUCTURE IN THERAPY NEURO3D (FR) 2005-07-27 EP disclosed
WO-2004041258-A2 CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS, PREPARATION AND USES NEURO3D (FR) 2004-05-21 WO disclosed
WO-2004041258-A2 CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS, PREPARATION AND USES NEURO3D (FR) 2004-05-21 WO 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-20060128695-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses PDE7A, PDE4A, PDE4B KDM4E 2333/4885MAPK14 2935/4885VNN1 456/4885

“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.