SCHEMBL6657136

SCHEMBL6657136

CCC1SC(=O)N(CCc2ccc(NC(=O)c3ccccn3)cc2)N=C1c1ccc(OC)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 1/20 0.49
PDE4A P27815 5/20 0.46
PDE4B Q07343 5/20 0.46
PDE4C Q08493 5/20 0.46
PDE4D Q08499 5/20 0.46
GRM4 Q14833 6/20 0.44
TLR7 Q9NYK1 1/20 0.43
HDAC6 Q9UBN7 1/20 0.42
AURKB Q96GD4 1/20 0.41
CFTR P13569 2/20 0.41
PTPN1 P18031 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
AXL P30530 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
SCHEMBL6655979 0.93 KDM4E (0.52) SMN1; SMN2NPC1RAB9AKDM4EPDE4A
SCHEMBL6659018 0.92 PDE4A (0.46) SMN1; SMN2NPC1RAB9AKDM4EPDE4A
SCHEMBL6655142 0.91 NPC1 (0.46) SMN1; SMN2NPC1RAB9APDE4APDE4B
SCHEMBL6657339 0.89 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AKDM4EPDE4A
SCHEMBL6837190 0.89 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AKDM4EPDE4A
SCHEMBL6654837 0.89 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AKDM4EPDE4A
SCHEMBL6842107 0.89 PDE4D (0.42) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL6656851 0.88 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AKDM4EPDE4A
SCHEMBL6653722 0.88 PDE4D (0.42) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL6686980 0.88 LMNA (0.47) SMN1; SMN2NPC1RAB9APDE4APDE4B

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 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.