SCHEMBL6841868

SCHEMBL6841868

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

nearest known ligand 0.84

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.84
PDE4D Q08499 4/20 0.84
MET P08581 3/20 0.84
PDE4A P27815 3/20 0.84
PDE4C Q08493 3/20 0.84
PDE3B Q13370 2/20 0.84
PDE3A Q14432 2/20 0.84
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
BCHE P06276 2/20 0.37
ACHE P22303 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL6842338 0.95 PDE4B (0.78) PDE4BPDE4DMETPDE4APDE4C
SCHEMBL6842414 0.95 PDE4B (0.77) PDE4BPDE4DMETPDE4APDE4C
SCHEMBL6844033 0.95 PDE4B (0.77) PDE4BPDE4DMETPDE4APDE4C
SCHEMBL6842456 0.94 PDE4B (0.76) PDE4BPDE4DMETPDE4APDE4C
SCHEMBL6842569 0.92 PDE4A (0.73) PDE4BPDE4DMETPDE4APDE4C
SCHEMBL6842681 0.92 MET (1.00) PDE4BPDE4DMETPDE4APDE4C
SCHEMBL6844051 0.91 PDE4B (0.70) PDE4BPDE4DMETPDE4APDE4C
SCHEMBL6842391 0.90 PDE4B (0.70) PDE4BPDE4DMETPDE4APDE4C
SCHEMBL6842541 0.89 PDE4B (0.69) PDE4BPDE4DMETPDE4APDE4C
SCHEMBL6841945 0.89 PDE4B (0.69) PDE4BPDE4DMETPDE4APDE4C

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 2 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 claimed
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 PDE4B 4/4885PDE4D 12/4885MET 4676/4885

“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.