SCHEMBL6659487

SCHEMBL6659487

CCC1CC(=O)N(Cc2ccc(NC(=O)c3cccs3)cc2)N=C1c1ccc(OC)c(OC2CCCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 12/20 0.50
PDE4B Q07343 11/20 0.50
PDE4C Q08493 10/20 0.50
PDE4D Q08499 10/20 0.50
QRFPR Q96P65 1/20 0.44
KMT2A Q03164 5/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 4/20 0.42
RAB9A P51151 3/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 2/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 2/20 0.41
KDM4E B2RXH2 2/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL6841799 0.93 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DQRFPR
SCHEMBL6656699 0.93 KMT2A (0.51) PDE4APDE4BPDE4CPDE4DQRFPR
SCHEMBL6654929 0.90 KMT2A (0.46) PDE4APDE4BPDE4CPDE4DQRFPR
SCHEMBL6654399 0.89 KMT2A (0.44) PDE4APDE4BPDE4CPDE4DQRFPR
SCHEMBL6661995 0.89 KMT2A (0.53) QRFPRKMT2AMAPTMEN1RAB9A
SCHEMBL6655992 0.89 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DQRFPR
SCHEMBL6654593 0.89 KMT2A (0.44) PDE4APDE4BPDE4CPDE4DQRFPR
SCHEMBL6654537 0.88 KMT2A (0.46) PDE4APDE4BPDE4CPDE4DQRFPR
SCHEMBL6657151 0.88 KMT2A (0.44) PDE4APDE4BPDE4CPDE4DQRFPR
SCHEMBL6660297 0.88 KMT2A (0.44) PDE4APDE4BPDE4CPDE4DQRFPR

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 PDE4A 1/4885PDE4B 4/4885PDE4C 5/4885

“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.