SCHEMBL6656922

SCHEMBL6656922

CCC1SC(=O)N(Cc2cccc(NC(=O)c3ccccn3)c2)N=C1c1ccc(OC)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PDE4A P27815 11/20 0.47
PDE4B Q07343 11/20 0.47
PDE4C Q08493 11/20 0.47
PDE4D Q08499 11/20 0.47
MET P08581 1/20 0.47
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
GRM4 Q14833 5/20 0.44
TLR7 Q9NYK1 1/20 0.43
ACKR3 P25106 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CFTR P13569 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
SCHEMBL6655979 0.93 KDM4E (0.52) KDM4ENPC1RAB9ASMN1; SMN2PDE4A
SCHEMBL6662513 0.93 PDE4D (0.52) KDM4ENPC1RAB9ASMN1; SMN2PDE4A
SCHEMBL6659333 0.92 PDE4A (0.46) NPC1RAB9ASMN1; SMN2PDE4APDE4B
SCHEMBL6661502 0.92 PDE4D (0.48) PDE4APDE4BPDE4CPDE4DMET
SCHEMBL6837190 0.89 SMN1; SMN2 (0.47) KDM4ENPC1RAB9ASMN1; SMN2PDE4A
SCHEMBL6657339 0.89 SMN1; SMN2 (0.47) KDM4ENPC1RAB9ASMN1; SMN2PDE4A
SCHEMBL6685528 0.89 PDE4D (0.45) PDE4APDE4BPDE4CPDE4DMET
SCHEMBL6660141 0.89 PDE4D (0.46) KDM4ENPC1RAB9APDE4APDE4B
SCHEMBL6654837 0.89 SMN1; SMN2 (0.46) KDM4ENPC1RAB9ASMN1; SMN2PDE4A
SCHEMBL6688068 0.88 PDE4B (0.47) SMN1; SMN2PDE4APDE4BPDE4CPDE4D

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 KDM4E 1050/4885NPC1 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.