SCHEMBL6934566

SCHEMBL6934566

CCC1CC(=O)N(CCc2ccc([N+](=O)[O-])cc2)N=C1c1ccc(OC)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.49
PDE4D Q08499 12/20 0.49
PDE4A P27815 11/20 0.49
PDE4C Q08493 11/20 0.49
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
KCNJ1 P48048 1/20 0.41
KCNH2 Q12809 1/20 0.41
GPR119 Q8TDV5 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
SCHEMBL6657268 0.91 PDE4D (0.49) PDE4BPDE4DPDE4APDE4C
SCHEMBL7216190 0.87 PDE4D (0.47) PDE4BPDE4DPDE4APDE4C
SCHEMBL6842079 0.87 PDE4B (0.52) PDE4BPDE4DPDE4APDE4CMAPK1
SCHEMBL6653576 0.85 PDE4D (0.46) PDE4BPDE4DPDE4APDE4C
SCHEMBL6655858 0.85 PDE4D (0.46) PDE4BPDE4DPDE4APDE4C
SCHEMBL6843999 0.85 PDE4B (0.46) PDE4BPDE4DPDE4APDE4C
SCHEMBL6656644 0.84 PDE4B (0.45) PDE4BPDE4DPDE4APDE4C
SCHEMBL6657886 0.83 PDE4D (0.45) PDE4BPDE4DPDE4APDE4CKMT2A
SCHEMBL6657361 0.83 PDE4B (0.50) PDE4BPDE4DPDE4APDE4CMAPK1
SCHEMBL6841935 0.83 PDE4B (0.45) PDE4BPDE4DPDE4APDE4C

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6531473-B2 Phosphodiesterase inhibitor; antiinflammatory agents MERCK PATENT GMBH (DE) 2003-03-11 US disclosed
EP-0738715-B1 Arylalkyl-pyridazinones MERCK PATENT GMBH (DE) 2003-01-29 EP disclosed
US-20020111356-A1 Arylalkylpyridazinones MERCK KGAA (DE) 2002-08-15 US disclosed
US-6399611-B1 2-(4-ETHOXYCARBONYLAMINOBENZYL)-6-(3,4 -DIMETHOXYPHENYL)-2,3,4, 5-TETRAHYDROPYRIDAZIN-3-ONE OR ALTERNATELY BENZYL SUBSTITUTED COMPOUNDS; PHOSPHODIESTERASE IV AND TUMOUR NECROSIS FACTOR INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2002-06-04 US disclosed
EP-0738715-A2 Arylalkyl-pyridazinones MERCK PATENT GmbH (DE) 1996-10-23 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-20020111356-A1 Arylalkylpyridazinones PDE4A, PDE5A, PDE2A PDE4B 8/4885PDE4D 10/4885PDE4A 1/4885

“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.