SCHEMBL6841791

SCHEMBL6841791

COc1ccc(C2=NN(Cc3ccc(NC(=O)OCCN4CCOCC4)cc3)C(=O)SC2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 7/20 0.60
MET P08581 3/20 0.60
PDE4B Q07343 3/20 0.60
PDE4A P27815 2/20 0.60
PDE4C Q08493 2/20 0.60
PDE3B Q13370 2/20 0.60
PDE3A Q14432 2/20 0.60
CFTR P13569 1/20 0.47
NPC1 O15118 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.42
MAP4K1 Q92918 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
SCHEMBL6844178 0.95 PDE4D (0.56) PDE4DMETPDE4BPDE4APDE4C
SCHEMBL6841672 0.94 PDE4D (0.54) PDE4DMETPDE4BPDE4APDE4C
SCHEMBL6837168 0.94 PDE4D (0.54) PDE4DMETPDE4BPDE4APDE4C
SCHEMBL6837291 0.94 PDE4D (0.56) PDE4DMETPDE4BPDE4APDE4C
SCHEMBL6842356 0.93 PDE4B (0.62) PDE4DMETPDE4BPDE4APDE4C
SCHEMBL6843905 0.92 PDE4D (0.52) PDE4DMETPDE4BPDE4APDE4C
SCHEMBL6844053 0.92 PDE4D (0.72) PDE4DMETPDE4BPDE4APDE4C
SCHEMBL6841985 0.91 PDE4B (0.60) PDE4DMETPDE4BPDE4APDE4C
SCHEMBL6842722 0.91 PDE4B (0.60) PDE4DMETPDE4BPDE4APDE4C
SCHEMBL6837229 0.91 PDE4D (0.59) PDE4DMETPDE4BPDE4APDE4C

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

“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.