SCHEMBL6656979

SCHEMBL6656979

COc1ccc(C2=NN(CCc3ccc(C(=O)NC4CCCC4)cc3)C(=O)CC2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.56
LMNA P02545 1/20 0.54
PDE4D Q08499 3/20 0.52
PDE4A P27815 2/20 0.52
PDE4C Q08493 2/20 0.52
PDE3B Q13370 1/20 0.52
PDE3A Q14432 1/20 0.52
KMT2A Q03164 1/20 0.48
POLB P06746 1/20 0.47
RECQL P46063 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL142935 0.91 PDE4B (0.63) PDE4BLMNAPDE4DPDE4APDE4C
SCHEMBL7798507 0.87 NPC1 (0.48) PDE4BLMNAPDE4DPDE4APDE4C
SCHEMBL6657114 0.86 PDE4B (0.56) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL143198 0.86 PDE4B (0.56) PDE4BLMNAPDE4DPDE4APDE4C
SCHEMBL6654207 0.84 PDE4A (0.51) PDE4BPDE4DPDE4APDE4CKMT2A
SCHEMBL6654125 0.84 PDE4B (0.63) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL9099996 0.82 PDE4B (0.64) PDE4BLMNAPDE4DPDE4APDE4C
SCHEMBL6677128 0.81 PDE4B (0.56) PDE4BLMNAPDE4DPDE4APDE4C
SCHEMBL6654325 0.80 PDE4B (0.61) PDE4BLMNAPDE4DPDE4APDE4C
SCHEMBL6654240 0.80 PDE4B (0.61) PDE4BLMNAPDE4DPDE4APDE4C

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 7 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
US-6531473-B2 Phosphodiesterase inhibitor; antiinflammatory agents MERCK PATENT GMBH (DE) 2003-03-11 US 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 (2 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 PDE4B 4/4885LMNA 2603/4885PDE4D 12/4885
US-20020111356-A1 Arylalkylpyridazinones PDE4A, PDE5A, PDE2A PDE4B 8/4885LMNA 4187/4885PDE4D 10/4885

“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.