SCHEMBL4203246

SCHEMBL4203246

N#Cc1ccc(N2C[C@@H](c3ccc(Cl)c(Oc4c(Cl)cccc4C#N)c3)CC2=O)cc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.38
PDE4B Q07343 3/20 0.38
PDE4C Q08493 3/20 0.38
PDE4D Q08499 3/20 0.38
VCAM1 P19320 1/20 0.35
HTR6 P50406 5/20 0.35
SLC22A12 Q96S37 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GRM5 P41594 4/20 0.32
MAPT P10636 2/20 0.32
PIN1 Q13526 1/20 0.31

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
SCHEMBL4203245 1.00 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DVCAM1
SCHEMBL14035848 0.87 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DHTR6
SCHEMBL14035891 0.85 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DHTR6
SCHEMBL4189955 0.85 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DHTR6
SCHEMBL14036021 0.85 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DHTR6
SCHEMBL13922757 0.85 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DHTR6
SCHEMBL13923089 0.83 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DHTR6
SCHEMBL13923020 0.83 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DHTR6
SCHEMBL13922962 0.83 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DHTR6
SCHEMBL4199728 0.83 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DHTR6

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
EP-1841425-A4 PHENYL-SUBSTITUTED PYRROLIDONES IRM LLC A DELWARE LTD LIABILIT (BM) 2009-02-18 EP disclosed
US-20080287516-A1 Phenyl-Substituted Pyrrolidones IRM LLC (BM) 2008-11-20 US disclosed
US-20080287516-A1 Phenyl-Substituted Pyrrolidones IRM LLC (BM) 2008-11-20 US disclosed
EP-1841425-A2 PHENYL-SUBSTITUTED PYRROLIDONES IRM LLC A Delware Limited Liability Company (BM) 2007-10-10 EP disclosed
WO-2006081554-A2 PHENYL-SUBSTITUTED PYRROLIDONES IRM LLC (BM) 2006-08-03 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-20080287516-A1 Phenyl-Substituted Pyrrolidones MALT1, FKBP5, PREP PDE4A 1181/4885PDE4B 1238/4885PDE4C 1261/4885

“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.