SCHEMBL6653384

SCHEMBL6653384

CCC1SC(=O)N(Cc2ccc(NC(=O)c3cc[nH]n3)cc2)N=C1c1ccc(OC)c(O)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 11/20 0.40
PDE4A P27815 10/20 0.40
PDE4B Q07343 10/20 0.40
PDE4C Q08493 10/20 0.40
PARP1 P09874 1/20 0.37
LMNA P02545 1/20 0.36
HSD17B10 Q99714 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
PIM1 P11309 1/20 0.34
HPSE Q9Y251 1/20 0.34

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
SCHEMBL6656993 0.94 PDE4D (0.46) PDE4DPDE4APDE4BPDE4CHSD17B10
SCHEMBL6657670 0.91 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CHSD17B10
SCHEMBL6656863 0.91 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CLMNA
SCHEMBL6656721 0.90 PDE4D (0.41) PDE4DPDE4APDE4BPDE4CHSD17B10
SCHEMBL6660934 0.89 PDE4D (0.41) PDE4DPDE4APDE4BPDE4CHSD17B10
SCHEMBL6657557 0.89 PDE4D (0.40) PDE4DPDE4APDE4BPDE4CHSD17B10
SCHEMBL6842326 0.89 PDE4D (0.40) PDE4DPDE4APDE4BPDE4CHSD17B10
SCHEMBL6657161 0.89 PDE4D (0.40) PDE4DPDE4APDE4BPDE4CLMNA
SCHEMBL6656289 0.89 PDE4D (0.40) PDE4DPDE4APDE4BPDE4CHSD17B10
SCHEMBL6654665 0.88 PDE4D (0.49) PDE4DPDE4APDE4BPDE4C

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 6 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 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
EP-0763534-B1 Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors MERCK PATENT GMBH (DE) 2003-02-26 EP disclosed
US-5859008-A Arylalkyl diazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-01-12 US disclosed
EP-0763534-A1 Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors MERCK PATENT GmbH (DE) 1997-03-19 EP 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 12/4885PDE4A 1/4885PDE4B 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.