SCHEMBL6655421

SCHEMBL6655421

CCC1OC(=O)N(Cc2ccccc2NC(=O)c2ccccn2)N=C1c1ccc(OC)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
GRM5 P41594 2/20 0.44
MAPT P10636 3/20 0.44
KMT2A Q03164 3/20 0.44
TP53 P04637 1/20 0.44
PDE4D Q08499 8/20 0.43
PDE4A P27815 6/20 0.43
PDE4B Q07343 6/20 0.43
PDE4C Q08493 6/20 0.43
TLR7 Q9NYK1 1/20 0.43
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CFTR P13569 1/20 0.40
MEN1 O00255 2/20 0.40
THRB P10828 1/20 0.40
GRM4 Q14833 1/20 0.39

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
SCHEMBL6656311 0.93 MAPT (0.42) SMN1; SMN2MAPTKMT2ATP53PDE4D
SCHEMBL6653516 0.92 KMT2A (0.44) SMN1; SMN2MAPTKMT2ATP53PDE4D
SCHEMBL6687033 0.89 MAPT (0.42) SMN1; SMN2KDM4EMAPTKMT2ATP53
SCHEMBL6657517 0.89 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EMAPTKMT2ATP53
SCHEMBL6687499 0.89 MAPT (0.43) SMN1; SMN2NPC1RAB9AMAPTPDE4D
SCHEMBL6654824 0.89 SMN1; SMN2 (0.52) SMN1; SMN2KDM4ENPC1RAB9AMAPT
SCHEMBL6657139 0.88 SMN1; SMN2 (0.42) SMN1; SMN2KDM4EMAPTKMT2ATP53
SCHEMBL6683599 0.87 KMT2A (0.44) SMN1; SMN2MAPTKMT2ATP53PDE4D
SCHEMBL6653612 0.87 KDM4E (0.49) SMN1; SMN2KDM4ENPC1RAB9APDE4D
SCHEMBL148131 0.87 AAK1 (0.49) SMN1; SMN2KDM4ENPC1RAB9AMAPT

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 2642/4885KDM4E 1050/4885NPC1 3307/4885

“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.