SCHEMBL7216219

SCHEMBL7216219

COc1ccc(C2=NN(CCc3ccc([N+](=O)[O-])cc3)C(=O)CC2)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.63
PDE4D Q08499 3/20 0.59
PDE4A P27815 2/20 0.59
PDE4C Q08493 2/20 0.59
PDE3B Q13370 1/20 0.59
PDE3A Q14432 1/20 0.59
LMNA P02545 1/20 0.51
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 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
SCHEMBL6656365 0.90 PDE4B (0.73) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6656328 0.85 PDE4B (0.68) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL7802881 0.85 MAPT (0.49) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL9099996 0.83 PDE4B (0.64) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6660538 0.82 PDE4B (0.74) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6934566 0.81 PDE4B (0.49) PDE4BPDE4DPDE4APDE4CKDM4E
SCHEMBL6654325 0.80 PDE4B (0.61) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6656015 0.80 PDE4B (0.59) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6654240 0.80 PDE4B (0.61) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6656013 0.80 PDE4B (0.61) PDE4BPDE4DPDE4APDE4CPDE3B

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 4 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
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.