SCHEMBL4900421

SCHEMBL4900421

O=C(O)COc1ccc(C2=NNC(=O)CC2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 2/20 0.48
LMNA P02545 2/20 0.48
NPY1R P25929 1/20 0.48
NPY2R P49146 1/20 0.48
PDE3B Q13370 10/20 0.46
PDE3A Q14432 9/20 0.46
KMT2A Q03164 1/20 0.45
PDE4A P27815 3/20 0.44
PDE4B Q07343 3/20 0.44
PDE4C Q08493 3/20 0.44
PDE4D Q08499 3/20 0.44
HRH3 Q9Y5N1 3/20 0.43
KCNH2 Q12809 1/20 0.41
HTT P42858 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL4892521 0.84 MAPT (0.49) SMN1; SMN2MAPTLMNANPY1RNPY2R
SCHEMBL7330323 0.83 MAPT (0.65) SMN1; SMN2MAPTLMNANPY1RNPY2R
SCHEMBL4573757 0.78 PDE3B (0.54) SMN1; SMN2MAPTLMNANPY1RNPY2R
SCHEMBL14046117 0.77 PDE3B (0.56) SMN1; SMN2MAPTLMNANPY1RNPY2R
SCHEMBL14606586 0.75 PDE3B (0.51) SMN1; SMN2MAPTLMNANPY1RNPY2R
SCHEMBL7298599 0.72 SMN1; SMN2 (0.61) SMN1; SMN2MAPTLMNANPY1RNPY2R
SCHEMBL1374242 0.72 SMN1; SMN2 (0.56) SMN1; SMN2MAPTLMNANPY1RNPY2R
SCHEMBL7328478 0.72 LMNA (0.72) SMN1; SMN2MAPTLMNANPY1RNPY2R
SCHEMBL10353452 0.72 SMN1; SMN2 (0.81) SMN1; SMN2MAPTLMNANPY1RNPY2R
SCHEMBL9630235 0.71 MAPT (0.67) SMN1; SMN2MAPTLMNANPY1RNPY2R

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255134-A1 Cardiotonic Compounds With Inhibitory Activity Against Beta-Adrenergic Receptors And Phosphodiesterase ARTESIAN THERAPEUTICS, INC. (US) 2008-10-16 US disclosed
US-20080255134-A1 Cardiotonic Compounds With Inhibitory Activity Against Beta-Adrenergic Receptors And Phosphodiesterase ARTESIAN THERAPEUTICS, INC. (US) 2008-10-16 US disclosed
US-20080255134-A1 Cardiotonic Compounds With Inhibitory Activity Against Beta-Adrenergic Receptors And Phosphodiesterase ARTESIAN THERAPEUTICS, INC. (US) 2008-10-16 US disclosed
EP-1833480-A2 CARDIOTONIC COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST BETA-ADRENERGIC RECEPTORS AND PHOSPHODIESTERASE Artesian Therapeutics, Inc. (US) 2007-09-19 EP disclosed
WO-2006060122-A9 CARDIOTONIC COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST BETA-ADRENERGIC RECEPTORS AND PHOSPHODIESTERASE ARTESIAN THERAPEUTICS INC (US) 2006-08-17 WO disclosed
WO-2006060122-A9 CARDIOTONIC COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST BETA-ADRENERGIC RECEPTORS AND PHOSPHODIESTERASE ARTESIAN THERAPEUTICS INC (US) 2006-08-17 WO disclosed
WO-2006060122-A2 CARDIOTONIC COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST BETA-ADRENERGIC RECEPTORS AND PHOSPHODIESTERASE ARTESIAN THERAPEUTICS, INC. (US) 2006-06-08 WO disclosed
WO-2006060122-A2 CARDIOTONIC COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST BETA-ADRENERGIC RECEPTORS AND PHOSPHODIESTERASE 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-20080255134-A1 Cardiotonic Compounds With Inhibitory Activity Against Beta-Adrenergic Receptors And Phosphodiesterase ADRB3, PDE3A, ADRB1 SMN1; SMN2 1975/4885MAPT 2409/4885LMNA 1155/4885

“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.