SCHEMBL6661778

SCHEMBL6661778

CCC1OC(=O)N(CCc2ccc(NC(=O)c3ccc[nH]3)cc2)N=C1c1ccc(OC)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 9/20 0.42
PDE4B Q07343 9/20 0.42
PDE4C Q08493 9/20 0.42
PDE4D Q08499 9/20 0.42
PDE3B Q13370 4/20 0.39
PDE3A Q14432 4/20 0.39
FLT1 P17948 1/20 0.38
KDR P35968 1/20 0.38
GAA P10253 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGAV P06756 1/20 0.37
ABCB1 P08183 3/20 0.36
ABCG2 Q9UNQ0 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL6660061 0.92 PDE4D (0.43) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL6655877 0.88 PDE4D (0.39) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL6841919 0.88 PDE4D (0.39) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL6655532 0.87 PDE4D (0.39) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL6659102 0.87 PDE4D (0.41) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL6684369 0.87 LMNA (0.49) PDE4APDE4BPDE4CPDE4DFLT1
SCHEMBL6655609 0.87 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL6661238 0.87 PDE4D (0.38) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL6655606 0.86 GAA (0.39) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL6662515 0.86 PDE4D (0.42) PDE4APDE4BPDE4CPDE4DPDE3B

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
US-20040235845-A1 Use of phosphodiesterase iv inhibitors MERCK PATENT GESSELSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2004-11-25 US disclosed
EP-1435958-A1 USE OF PHOSPHORODIESTERASE IV INHIBITORS MERCK PATENT GmbH (DE) 2004-07-14 EP disclosed
WO-2003032993-A1 USE OF PHOSPHORODIESTERASE IV INHIBITORS MERCK PATENT GMBH (DE) 2003-04-24 WO disclosed
EP-0763534-B1 Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors MERCK PATENT GMBH (DE) 2003-02-26 EP disclosed
US-5859008-A Arylalkyl diazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-01-12 US disclosed
EP-0763534-A1 Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors MERCK PATENT GmbH (DE) 1997-03-19 EP 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-20040235845-A1 Use of phosphodiesterase iv inhibitors PDE4A, PDE3A, PDE3B PDE4A 1/4885PDE4B 4/4885PDE4C 5/4885

“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.