SCHEMBL4886667

SCHEMBL4886667

O=C(COc1ccc(C2=NNC(=O)CC2)cc1Cl)NCCc1ccc(OCC2CO2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPC1 O15118 2/20 0.41
LMNA P02545 6/20 0.40
XBP1 P17861 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 1/20 0.39
MAPT P10636 3/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 2/20 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
SCHEMBL4884538 0.93 LMNA (0.38) GAACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4887934 0.92 HPGD (0.43) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL14198713 0.92 HPGD (0.43) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8265597 0.90 MAPT (0.45) NPC1LMNAALDH1A1SMN1; SMN2PKM
SCHEMBL14198714 0.90 MAPT (0.45) NPC1LMNAALDH1A1SMN1; SMN2PKM
SCHEMBL4890940 0.86 MAPT (0.46) GAALMNAALDH1A1SMN1; SMN2PKM
SCHEMBL14198717 0.86 MAPT (0.46) GAALMNAALDH1A1SMN1; SMN2PKM
SCHEMBL4884827 0.86 LMNA (0.46) GAACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4890809 0.82 LMNA (0.45) LMNAMAPTNPY1RNPY2RKMT2A
SCHEMBL5631098 0.81 LMNA (0.54) GAALMNAALDH1A1SMN1; SMN2PKM

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 GAA 772/4885CYP1A2 549/4885CYP3A4 1067/4885

“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.