SCHEMBL4709783

SCHEMBL4709783

COc1ccc(N)c(C(=O)c2cccc(C#N)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 3/20 0.52
P4HB P07237 1/20 0.51
PARP1 P09874 1/20 0.47
STS P08842 2/20 0.46
MAPK14 Q16539 1/20 0.46
NOS2 P35228 2/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
HTT P42858 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
PGR P06401 1/20 0.45
CYP2D6 P10635 1/20 0.45
HPGD P15428 1/20 0.45
SLC6A2 P23975 1/20 0.45
PDE4A P27815 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
HRH1 P35367 1/20 0.45

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
SCHEMBL4709037 0.91 VNN1 (0.51) VNN1P4HBPARP1STSMAPK14
SCHEMBL16110416 0.86 CYP2C8 (0.52) VNN1P4HBCES2CES1HTT
SCHEMBL16396165 0.84 P4HB (0.63) VNN1P4HBPARP1STSCES2
SCHEMBL9078419 0.84 HPGD (0.66) VNN1P4HBSTSCES2CES1
SCHEMBL4709546 0.83 KDM4E (0.48) VNN1P4HBMAPK14HTTALDH1A1
SCHEMBL6541245 0.82 MAPK14 (0.48) VNN1MAPK14ALDH1A1CYP1A2MAPK1
SCHEMBL7780410 0.82 VNN1 (0.63) VNN1P4HBSTSMAPK14ALDH1A1
SCHEMBL2533157 0.80 ALDH1A1 (0.67) MAPK14NOS2HTTALDH1A1LMNA
SCHEMBL31366495 0.80 ALDH1A1 (0.67) MAPK14NOS2HTTALDH1A1LMNA
SCHEMBL5039012 0.80 MAPK14 (0.48) VNN1MAPK14MAPT

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 4 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
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

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 VNN1 456/4885P4HB 2901/4885PARP1 486/4885

“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.