Sugi Predict

Sugi Predict / Compounds / SCHEMBL4856579

SCHEMBL4856579

SCHEMBL4856579

COc1ccc(N)cc1CNC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 3/20 0.49
▸ MTNR1B P49286 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ RCE1 Q9Y256 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ POLB P06746 1/20 0.44

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
SCHEMBL30849698 0.83 MTNR1A (0.69) MTNR1AMTNR1BALDH1A1HPGDGAA
SCHEMBL8460016 0.83 MTNR1A (0.50) MTNR1AMTNR1BALDH1A1KDM4ELMNA
SCHEMBL20738484 0.83 MTNR1A (0.53) MTNR1AMTNR1BALDH1A1HPGDGAA
SCHEMBL6675923 0.81 KDM4E (0.45) MTNR1AMTNR1BALDH1A1KDM4EHPGD
SCHEMBL8644052 0.81 ALDH1A1 (0.61) ALDH1A1HPGDGAAPOLB
SCHEMBL20738591 0.81 SETDB1 (0.53) MTNR1AMTNR1BALDH1A1LMNAMAPT
SCHEMBL1708818 0.80 NPSR1 (0.41) MTNR1AALDH1A1KDM4EHPGDMAPT
SCHEMBL8343069 0.80 LMNA (0.53) MTNR1AMTNR1BLMNAPOLB
SCHEMBL9826470 0.79 PRKCI (0.50) MTNR1AMTNR1BALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL6679209 0.79 KMT2A (0.42) MTNR1AALDH1A1KDM4EHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080175914-A1 Pyrazolo[3,4-b]Pyridine Compounds, and their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED 2008-07-24 — — US disclosed
US-20080175914-A1 Pyrazolo[3,4-b]Pyridine Compounds, and their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED 2008-07-24 — — US disclosed
US-7384963-B2 2′-Methyl-5-(1,3,4-oxadiazol-2-yl)1, 1′-biphenyl-4-carboxaide derivatives and their use as p38 kinase GLAXO GROUP LIMITED (GB) 2008-06-10 — — US disclosed
US-20040266839-A1 2'-Methyl-5-(1,3,4-oxadiazol-2-yl)1,1'-biphenyl-4-carboxaide derivatives and their use as p38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2004-12-30 — — US disclosed
EP-1435949-A1 2' -METHYL-5-(1,3,4-OXADIAZOL-2-YL)-1,1'-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-14 — — EP disclosed
WO-2003032986-A1 2' -METHYL-5-(1,3,4-OXADIAZOL-2-YL)-1,1'-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-04-24 — — 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 (2 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-20080175914-A1 Pyrazolo[3,4-b]Pyridine Compounds, and their Use as Phosphodiesterase Inhibitors PDE5A, PDE3B, PDE4A MTNR1A 329/4885MTNR1B 342/4885ALDH1A1 900/4885
US-20040266839-A1 2'-Methyl-5-(1,3,4-oxadiazol-2-yl)1,1'-biphenyl-4-carboxaide derivatives and their use as p38 kinase inhibitors MAPK1, MAPK3, MAPK6 MTNR1A 1194/4885MTNR1B 654/4885ALDH1A1 1805/4885

“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.