SCHEMBL5457930

SCHEMBL5457930

Cc1[nH]c(=O)[nH]c1C(=O)c1ccc(O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 9/20 0.69
PDE4B Q07343 9/20 0.69
PDE4C Q08493 9/20 0.69
PDE4D Q08499 9/20 0.69
PDE3B Q13370 3/20 0.69
PDE3A Q14432 3/20 0.69
HPGD P15428 2/20 0.69
CYP1A2 P05177 1/20 0.69
CYP3A4 P08684 1/20 0.69
CYP2C9 P11712 1/20 0.69
ALOX15 P16050 1/20 0.69
TSHR P16473 1/20 0.69
NFKB1 P19838 1/20 0.69
BLM P54132 1/20 0.69
PMP22 Q01453 1/20 0.69
ATM Q13315 1/20 0.69
NPSR1 Q6W5P4 1/20 0.69
HSD17B10 Q99714 1/20 0.69
HTT P42858 2/20 0.48
LMNA P02545 2/20 0.48

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
SCHEMBL10635511 0.86 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11181578 0.84 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10924200 0.84 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7339645 0.84 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7339717 0.84 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7430671 0.82 PDE3B (0.67) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10635942 0.81 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL8207668 0.81 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11175098 0.81 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DPDE3B
Enoximone SCHEMBL5153559 0.81 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070117978-A1 Cardiotonic compounds with inhibitory activity against beta-adrenergic receptors and phosphodiesterase ARTESIAN THERAPECUTICS, INC (US) 2007-05-24 US disclosed
US-20070117978-A1 Cardiotonic compounds with inhibitory activity against beta-adrenergic receptors and phosphodiesterase ARTESIAN THERAPECUTICS, INC (US) 2007-05-24 US disclosed
US-20070117978-A1 Cardiotonic compounds with inhibitory activity against beta-adrenergic receptors and phosphodiesterase ARTESIAN THERAPECUTICS, INC (US) 2007-05-24 US disclosed
US-20070060748-A1 Compounds with mixed pde-inhibitory and beta-adrenergic antagonist or partial agonist activity for treatment of heart failure ARTESIAN THERAPEUTICS, INC. 2007-03-15 US disclosed
US-20070060748-A1 Compounds with mixed pde-inhibitory and beta-adrenergic antagonist or partial agonist activity for treatment of heart failure ARTESIAN THERAPEUTICS, INC. 2007-03-15 US disclosed
US-20070060748-A1 Compounds with mixed pde-inhibitory and beta-adrenergic antagonist or partial agonist activity for treatment of heart failure ARTESIAN THERAPEUTICS, INC. 2007-03-15 US disclosed
EP-1565472-A2 COMPOUNDS WITH MIXED PDE-INHIBITORY AND BETA-ADRENERGIC ANTAGONIST OR PARTIAL AGONIST ACTIVITY FOR TREATMENT OF HEART FAILURE Artesian Therapeutics, Inc. (US) 2005-08-24 EP disclosed
WO-2004058726-A2 CARDIOTONIC COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST β-ADRENERGIC RECEPTORS AND PHOSPHODIESTERASE ARTESIAN THERAPEUTICS, INC. (US) 2004-07-15 WO disclosed
WO-2004050657-A2 COMPOUNDS WITH MIXED PDE-INHIBITORY AND β-ADRENERGIC ANTAGONIST OR PARTIAL AGONIST ACTIVITY FOR TREATMENT OF HEART FAILURE ARTESIAN THERAPEUTICS, INC. (US) 2004-06-17 WO disclosed
WO-2004050657-A2 COMPOUNDS WITH MIXED PDE-INHIBITORY AND β-ADRENERGIC ANTAGONIST OR PARTIAL AGONIST ACTIVITY FOR TREATMENT OF HEART FAILURE ARTESIAN THERAPEUTICS, INC. (US) 2004-06-17 WO disclosed
US-4405635-A HYPOTENSIVE, CARDIOTONIC, BRONCHODILATOR, ANTICOAGULANT, AND MUSCLE RELAXANT AGENTS MERRELL DOW PHARMACEUTICALS INC. (US) 1983-09-20 US disclosed
EP-0058435-A2 Novel 4-aroylimidazol-2-ones MERRELL DOW PHARMACEUTICALS INC. (US) 1982-08-25 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-20070060748-A1 Compounds with mixed pde-inhibitory and beta-adrenergic antagonist or partial agonist activity for treatment of heart failure ADRB3, PDE3A, PDE3B PDE4A 7/4885PDE4B 8/4885PDE4C 14/4885
US-20070117978-A1 Cardiotonic compounds with inhibitory activity against beta-adrenergic receptors and phosphodiesterase PDE3A, PDE4A, PDE3B PDE4A 2/4885PDE4B 6/4885PDE4C 9/4885

“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.