SCHEMBL4884538

SCHEMBL4884538

O=C(COc1ccc(C2=NNC(=O)CC2)cc1Cl)NCCNC(=O)Cc1ccc(OC[C@@H]2CO2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.38
MAPT P10636 2/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
HPGD P15428 2/20 0.37
PDE3B Q13370 2/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
PDE3A Q14432 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
XBP1 P17861 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL4886667 0.93 GAA (0.42) LMNAMAPTNPY1RNPY2RHPGD
SCHEMBL4887934 0.91 HPGD (0.43) LMNAMAPTNPY1RNPY2RHPGD
SCHEMBL14198713 0.91 HPGD (0.43) LMNAMAPTNPY1RNPY2RHPGD
SCHEMBL4881326 0.86 PDE3B (0.42) LMNAHPGDPDE3BPDE4APDE4B
SCHEMBL8265597 0.83 MAPT (0.45) LMNAMAPTNPY1RNPY2RHPGD
SCHEMBL14198714 0.83 MAPT (0.45) LMNAMAPTNPY1RNPY2RHPGD
SCHEMBL14198717 0.82 MAPT (0.46) LMNAMAPTNPY1RNPY2RPDE3B
SCHEMBL4890940 0.82 MAPT (0.46) LMNAMAPTNPY1RNPY2RPDE3B
SCHEMBL4887668 0.81 ADRB2 (0.43) LMNAMAPTKMT2ACYP1A2CYP3A4
SCHEMBL5631098 0.81 LMNA (0.54) LMNAMAPTNPY1RNPY2RPDE3B

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 LMNA 1122/4885MAPT 1575/4885NPY1R 211/4885

“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.