SCHEMBL4887950

SCHEMBL4887950

O=C(COc1ccc(C2=NNC(=O)CC2)cc1Cl)NCc1ccc(O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPK1 P28482 2/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
GLA P06280 1/20 0.49
ADAMTS5 Q9UNA0 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
RAB9A P51151 3/20 0.44
PDE3B Q13370 2/20 0.44
PDE3A Q14432 2/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL4884827 0.91 LMNA (0.46) HPGDALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL4881326 0.90 PDE3B (0.42) HPGDALDH1A1MAPK1KDM4ELMNA
SCHEMBL14198713 0.85 HPGD (0.43) HPGDALDH1A1MAPK1KDM4ELMNA
SCHEMBL4887934 0.85 HPGD (0.43) HPGDALDH1A1MAPK1KDM4ELMNA
SCHEMBL8267262 0.84 LMNA (0.43) ALDH1A1LMNAADAMTS5SMN1; SMN2PDE3B
SCHEMBL7337123 0.83 PDE3B (0.46) HPGDALDH1A1MAPK1KDM4ELMNA
SCHEMBL10474304 0.83 PDE3B (0.50) HPGDALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL10475276 0.82 HPGD (0.60) HPGDALDH1A1MAPK1KDM4ELMNA
SCHEMBL10867608 0.82 PDE4B (0.48) HPGDALDH1A1MAPK1KDM4ELMNA
SCHEMBL4881168 0.82 LMNA (0.41) HPGDALDH1A1MAPK1KDM4ELMNA

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-20080090827-A1 Compounds With Mixed Pde-Inhibitory and Beta-Adrenergic Antagonist or Partial Agonist Activity For Treatment of Heart Failure ARTESIAN THERAPEUTICS, INC. (US) 2008-04-17 US disclosed
US-20080090827-A1 Compounds With Mixed Pde-Inhibitory and Beta-Adrenergic Antagonist or Partial Agonist Activity For Treatment of Heart Failure ARTESIAN THERAPEUTICS, INC. (US) 2008-04-17 US disclosed
EP-1830852-A2 COMPOUNDS WITH MIXED PDE-INHIBITORY AND BETA-ADRENERGIC ANTAGONIST OR PARTIAL AGONIST ACTIVITY FOR TREATMENT OF HEART FAILURE Artesian Therapeutics, Inc. (US) 2007-09-12 EP disclosed
WO-2006060127-A2 COMPOUNDS WITH MIXED PDE-INHIBITORY AND β-ADRENERGIC ANTAGONIST OR PARTIAL AGONIST ACTIVITY FOR TREATMENT OF HEART FAILURE ARTESIAN THERAPEUTICS, INC. (US) 2006-06-08 WO 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-20080090827-A1 Compounds With Mixed Pde-Inhibitory and Beta-Adrenergic Antagonist or Partial Agonist Activity For Treatment of Heart Failure ADRB3, PDE3A, PDE3B HPGD 1158/4885ALDH1A1 1347/4885MAPK1 3480/4885

“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.