SCHEMBL6842477

SCHEMBL6842477

COc1ccc(C2=NN(Cc3ccc(NC(=O)CN4CCCCC4)cc3)C(=O)SC2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.52
PDE4D Q08499 4/20 0.52
PDE4A P27815 2/20 0.52
PDE4C Q08493 2/20 0.52
PDE3B Q13370 2/20 0.52
PDE3A Q14432 2/20 0.52
MET P08581 1/20 0.52
KDM4E B2RXH2 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 2/20 0.48
TP53 P04637 1/20 0.48
LMNA P02545 2/20 0.46
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ESR1 P03372 1/20 0.44

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
SCHEMBL6657923 0.99 PDE4B (0.52) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6659413 0.94 PDE4D (0.49) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6661007 0.94 PDE4D (0.47) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6655721 0.94 PDE4D (0.49) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6657809 0.93 PDE4D (0.49) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6657122 0.93 PDE4D (0.47) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6656055 0.92 PDE4B (0.51) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6658002 0.92 PDE4D (0.51) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6842647 0.92 PDE4A (0.46) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6653614 0.92 PDE4D (0.50) PDE4BPDE4DPDE4APDE4CPDE3B

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 PDE4B 4/4885PDE4D 12/4885PDE4A 1/4885

“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.