SCHEMBL6841823

SCHEMBL6841823

CCN(CC)CCC(=O)Nc1ccc(CN2N=C(c3ccc(OC)c(OC4CCCC4)c3)CSC2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 17/20 0.56
PDE4B Q07343 11/20 0.56
PDE4C Q08493 10/20 0.56
PDE4D Q08499 10/20 0.56
MET P08581 2/20 0.56
PDE3B Q13370 1/20 0.56
PDE3A Q14432 1/20 0.56
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
PAX8 Q06710 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
SCHEMBL6658966 0.93 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DMET
SCHEMBL7798567 0.92 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DMET
SCHEMBL6655590 0.92 PDE4B (0.65) PDE4APDE4BPDE4CPDE4DMET
SCHEMBL6841978 0.91 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DMET
SCHEMBL7793010 0.90 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DMET
SCHEMBL7801593 0.90 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DMET
SCHEMBL6844035 0.90 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DMET
SCHEMBL7801811 0.90 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DMET
SCHEMBL6842537 0.89 PDE4B (0.51) PDE4APDE4BPDE4CPDE4DMET
SCHEMBL6660607 0.89 PDE4B (0.60) PDE4APDE4BPDE4CPDE4DMET

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 1 patent. 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

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.