SCHEMBL6656343

SCHEMBL6656343

COc1ccc(C2=NN(Cc3ccc(NC(=O)c4ccccn4)cc3)C(=O)SC2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
KDM4E B2RXH2 1/20 0.55
PDE4B Q07343 4/20 0.54
PDE4A P27815 2/20 0.54
PDE4C Q08493 2/20 0.54
PDE4D Q08499 2/20 0.54
PDE3B Q13370 2/20 0.54
PDE3A Q14432 2/20 0.54
MET P08581 1/20 0.54
GRM4 Q14833 6/20 0.48
TLR7 Q9NYK1 1/20 0.47
HDAC6 Q9UBN7 1/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
AURKB Q96GD4 1/20 0.46
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL6844037 0.93 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AKDM4EPDE4B
SCHEMBL6841783 0.93 PDE4B (0.64) SMN1; SMN2NPC1RAB9AKDM4EPDE4B
SCHEMBL6659858 0.92 PDE4B (0.55) SMN1; SMN2NPC1RAB9AKDM4EPDE4B
SCHEMBL6662174 0.91 PDE4B (0.52) SMN1; SMN2NPC1RAB9APDE4BPDE4A
SCHEMBL6659885 0.87 PDE4B (0.48) SMN1; SMN2NPC1RAB9AKDM4EPDE4B
SCHEMBL6687267 0.87 PDE4B (0.53) SMN1; SMN2NPC1RAB9APDE4BPDE4A
SCHEMBL6657035 0.87 PDE4B (0.68) SMN1; SMN2NPC1RAB9AKDM4EPDE4B
SCHEMBL6683886 0.86 PDE4B (0.51) NPC1KDM4EPDE4BPDE4APDE4C
SCHEMBL149883 0.86 PDE4B (0.53) SMN1; SMN2NPC1RAB9APDE4BPDE4A
SCHEMBL6655462 0.86 PDE4B (0.57) SMN1; SMN2KDM4EPDE4BPDE4APDE4C

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 11 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 claimed
EP-1435958-A1 USE OF PHOSPHORODIESTERASE IV INHIBITORS MERCK PATENT GmbH (DE) 2004-07-14 EP claimed
WO-2003032993-A1 USE OF PHOSPHORODIESTERASE IV INHIBITORS MERCK PATENT GMBH (DE) 2003-04-24 WO claimed
EP-0763534-B1 Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors MERCK PATENT GMBH (DE) 2003-02-26 EP claimed
EP-0763534-A1 Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors MERCK PATENT GmbH (DE) 1997-03-19 EP claimed
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 SMN1; SMN2 2642/4885NPC1 3307/4885RAB9A 2053/4885

“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.