SCHEMBL6654582

SCHEMBL6654582

COc1ccc(C2=NN(Cc3ccc(NC(=O)CCN4CCCCC4)cc3)C(=O)SC2)cc1OC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.46
PDE4D Q08499 8/20 0.46
PDE4B Q07343 7/20 0.46
PDE4C Q08493 7/20 0.46
MET P08581 1/20 0.46
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
CYP2D6 P10635 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
PAX8 Q06710 1/20 0.41
GLA P06280 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL6837244 0.99 PDE4A (0.47) PDE4APDE4DPDE4BPDE4CMET
SCHEMBL6844113 0.94 PDE4A (0.45) PDE4APDE4DPDE4BPDE4CMET
SCHEMBL6841706 0.94 PDE4A (0.45) PDE4APDE4DPDE4BPDE4CMET
SCHEMBL6675907 0.94 PDE4D (0.48) PDE4APDE4DPDE4BPDE4CMET
SCHEMBL6656581 0.94 PDE4A (0.45) PDE4APDE4DPDE4BPDE4CMET
SCHEMBL6842647 0.93 PDE4A (0.46) PDE4APDE4DPDE4BPDE4CMET
SCHEMBL6837372 0.93 PDE4D (0.52) PDE4APDE4DPDE4BPDE4CMET
SCHEMBL6842024 0.92 PDE4A (0.46) PDE4APDE4DPDE4BPDE4CMET
SCHEMBL6660167 0.92 PDE4B (0.53) PDE4APDE4DPDE4BPDE4CMET
SCHEMBL7798567 0.90 PDE4A (0.53) PDE4APDE4DPDE4BPDE4CMET

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1564687-A Use of phosphodiesterase IV inhibitors MERCK PATENT GMBH (DE) 2005-01-12 CN disclosed
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

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 1/4885PDE4D 12/4885PDE4B 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.