Sugi Predict

Sugi Predict / Compounds / SCHEMBL4894708

SCHEMBL4894708

SCHEMBL4894708

O=C1CCC(c2ccc(OCCCOCc3ccc(OCC4CO4)cc3)c(Cl)c2)=NN1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.45
▸ NPY1R P25929 1/20 0.45
▸ NPY2R P49146 1/20 0.45
▸ MAPT P10636 2/20 0.43
▸ HRH3 Q9Y5N1 5/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ PDE3A Q14432 6/20 0.40
▸ PDE3B Q13370 5/20 0.40
▸ PDE4B Q07343 4/20 0.40
▸ PDE4A P27815 2/20 0.40
▸ PDE4C Q08493 2/20 0.40
▸ PDE4D Q08499 2/20 0.40
▸ REN P00797 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33

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
SCHEMBL4890649 1.00 LMNA (0.45) LMNANPY1RNPY2RMAPTHRH3
SCHEMBL4890809 0.92 LMNA (0.45) LMNANPY1RNPY2RMAPTHRH3
SCHEMBL5631098 0.92 LMNA (0.54) LMNANPY1RNPY2RMAPTHRH3
SCHEMBL14198717 0.89 MAPT (0.46) LMNANPY1RNPY2RMAPTHRH3
SCHEMBL4890940 0.89 MAPT (0.46) LMNANPY1RNPY2RMAPTHRH3
SCHEMBL8350897 0.85 LMNA (0.50) LMNANPY1RNPY2RMAPTHRH3
SCHEMBL4886629 0.84 PDE3B (0.46) LMNANPY1RNPY2RMAPTHRH3
SCHEMBL11701567 0.84 PDE3B (0.52) LMNANPY1RNPY2RMAPTHRH3
SCHEMBL14198713 0.81 HPGD (0.43) LMNANPY1RNPY2RMAPTKMT2A
SCHEMBL4887934 0.81 HPGD (0.43) LMNANPY1RNPY2RMAPTKMT2A

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
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
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 LMNA 1122/4885NPY1R 211/4885NPY2R 165/4885

“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.