SCHEMBL2924632

SCHEMBL2924632

O=C1CSc2ncc(CO)cc2N1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.40
MAOA P21397 10/20 0.40
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
EPHX2 P34913 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL13356540 0.85 MAOB (0.45) MAOBMAOANPC1RAB9AEPHX2
SCHEMBL13356496 0.85 MAOB (0.39) MAOBMAOANPC1RAB9AEPHX2
SCHEMBL19629987 0.80 MAOB (0.39) MAOBMAOANPC1RAB9AEPHX2
SCHEMBL2797763 0.77 MAOB (0.40) MAOBMAOANPC1RAB9AEPHX2
SCHEMBL10285185 0.76 EPHX2 (0.50) MAOBMAOANPC1RAB9AEPHX2
SCHEMBL26386762 0.76 MAOB (0.39) MAOBMAOANPC1RAB9AEPHX2
SCHEMBL2123339 0.76 MAOA (0.41) MAOBMAOANPC1RAB9AEPHX2
SCHEMBL23781329 0.76 HTT (0.46) MAOBMAOANPC1RAB9AEPHX2
SCHEMBL2925433 0.76 HTT (0.56) MAOBMAOANPC1RAB9AEPHX2
SCHEMBL5657746 0.74 ALDH1A1 (0.44) MAOBMAOANPC1RAB9AEPHX2

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1560488-B1 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2010-09-01 EP disclosed
EP-2181996-A1 Aminopiperidine derivatives GLAXO GROUP LIMITED (GB) 2010-05-05 EP disclosed
US-20100081650-A1 Antimicrobial Compounds AXTEN JEFFREY MICHAEL 2010-04-01 US disclosed
US-7622481-B2 Antibacterial compounds GLAXO GROUP LIMITED (GB) 2009-11-24 US disclosed
US-7618959-B2 Antibacterial agents SMITHKLINEBEECHAM CORP (US) 2009-11-17 US disclosed
EP-1537123-B1 AMINO-SUBSTITUTED CYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS GLAXO GROUP LTD (GB) 2009-04-29 EP disclosed
US-7312212-B2 Aminopiperidine derivatives GLAXO GROUP LIMITED (GB) 2007-12-25 US disclosed
EP-1399443-B1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2007-12-12 EP disclosed
EP-1359908-B1 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERIDINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2007-08-22 EP disclosed
US-20070135422-A1 Nitrogen-containing bicycle heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. 2007-06-14 US disclosed
EP-1470125-A1 AMINOPIPERIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2004-10-27 EP disclosed
US-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-09-02 US disclosed
WO-2004058144-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-07-15 WO disclosed
US-20040138219-A1 Quinolines and nitrogenated derivative therof substituted in 4-position by a piperidine-containing moiety and their use as antibacterial agents SMITHKLINE BEECHAM P.L.C. (GB) 2004-07-15 US disclosed
WO-2004041210-A2 ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2004-05-21 WO disclosed
EP-1399443-A1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2004-03-24 EP disclosed
EP-1359908-A1 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERIDINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2003-11-12 EP disclosed
WO-2003087098-A1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2003-10-23 WO disclosed
WO-2003064421-A1 AMINOPIPERIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-08-07 WO disclosed
WO-2002056882-A1 QUINOLINES AND NITROGENATED DERIVAIVE THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERIDINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM P.L.C. (GB) 2002-07-25 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 (4 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-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials NRDC, NUCB2, NDC1 MAOB 1080/4885MAOA 1729/4885NPC1 1026/4885
US-20070135422-A1 Nitrogen-containing bicycle heterocycles for use as antibacterials NRDC, NUCB2, NISCH MAOB 1106/4885MAOA 1868/4885NPC1 1345/4885
US-20040138219-A1 Quinolines and nitrogenated derivative therof substituted in 4-position by a piperidine-containing moiety and their use as antibacterial agents NCF1, TEAD1, TYMS MAOB 2916/4885MAOA 3101/4885NPC1 1293/4885
US-20100081650-A1 Antimicrobial Compounds ELANE, NISCH, PIGS MAOB 2202/4885MAOA 2039/4885NPC1 452/4885

“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.