SCHEMBL6654577

SCHEMBL6654577

CCC1SC(=O)N(Cc2ccc(NC(=O)c3cnco3)cc2)N=C1c1ccc(OC)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 16/20 0.45
PDE4A P27815 10/20 0.45
PDE4B Q07343 10/20 0.45
PDE4C Q08493 10/20 0.45
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL6654895 0.95 PDE4D (0.41) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL6660262 0.95 PDE4D (0.41) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL6656105 0.95 PDE4D (0.41) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL6655594 0.94 PDE4D (0.40) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL6656557 0.94 PDE4D (0.39) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL6655878 0.93 PDE4D (0.40) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL6658162 0.93 PDE4D (0.40) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL6661285 0.93 PDE4D (0.40) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL6655870 0.93 PDE4D (0.40) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL6842114 0.93 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CCYP1A2

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.