SCHEMBL4881326

SCHEMBL4881326

O=C(COc1ccc(C2=NNC(=O)CC2)cc1Cl)NCCNC(=O)Cc1ccc(O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.42
PDE3A Q14432 2/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
LMNA P02545 4/20 0.41
PDK2 Q15119 1/20 0.41
XBP1 P17861 1/20 0.41
HPGD P15428 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
MAPK1 P28482 1/20 0.38
ADAMTS5 Q9UNA0 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
SCHEMBL4884827 0.92 LMNA (0.46) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL4887950 0.90 HPGD (0.49) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL4884538 0.86 LMNA (0.38) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7337123 0.85 PDE3B (0.46) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9526509 0.83 LMNA (0.51) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL4887668 0.83 ADRB2 (0.43) LMNAPDK2TSHRKDM4EGLA
SCHEMBL10475455 0.82 HPGD (0.49) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL8267262 0.82 LMNA (0.43) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10431523 0.81 HRH3 (0.51) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10723099 0.81 HRH3 (0.48) PDE3BPDE3APDE4APDE4BPDE4C

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 2 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

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 PDE3B 3/4885PDE3A 2/4885PDE4A 7/4885

“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.