SCHEMBL4887934

SCHEMBL4887934

O=C(COc1ccc(C2=NNC(=O)CC2)cc1Cl)NCc1ccc(OCC2CO2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 3/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
RAB9A P51151 2/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE3B Q13370 1/20 0.38

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
SCHEMBL14198713 1.00 HPGD (0.43) HPGDLMNAALDH1A1KDM4EGLA
SCHEMBL4886667 0.92 GAA (0.42) HPGDLMNAALDH1A1MAPK1SMN1; SMN2
SCHEMBL4884538 0.91 LMNA (0.38) HPGDLMNAALDH1A1KDM4EGLA
SCHEMBL4887950 0.85 HPGD (0.49) HPGDLMNAALDH1A1KDM4EGLA
SCHEMBL14198717 0.84 MAPT (0.46) LMNAALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL4890940 0.84 MAPT (0.46) LMNAALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL5631098 0.82 LMNA (0.54) LMNAALDH1A1SMN1; SMN2MAPTNPY1R
SCHEMBL11701567 0.82 PDE3B (0.52) LMNASMN1; SMN2MAPTNPY1RNPY2R
SCHEMBL14198714 0.81 MAPT (0.45) HPGDLMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL8265597 0.81 MAPT (0.45) HPGDLMNAALDH1A1SMN1; SMN2MAPT

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 3 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
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 1158/4885LMNA 1122/4885ALDH1A1 1347/4885

“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.