SCHEMBL3247932

SCHEMBL3247932

O=C1COc2cc(Cl)c(Br)nc2N1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 3/20 0.36
MMP12 P39900 1/20 0.36
KCNH2 Q12809 2/20 0.35
MGLL Q99685 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
PARP1 P09874 1/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 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
SCHEMBL3829027 0.91 NR3C2 (0.39) NR3C2MMP12KCNH2MGLLMAPT
SCHEMBL16460174 0.84 MMP12 (0.38) NR3C2MMP12KCNH2CYP11B1CYP11B2
SCHEMBL13424716 0.81 MMP12 (0.43) NR3C2MMP12MAPTPARP1KMT2A
SCHEMBL2768693 0.79 NR3C2 (0.38) NR3C2MMP12KCNH2MGLLMAPT
SCHEMBL13356483 0.78 KCNH2 (0.38) NR3C2MMP12KCNH2MGLLMAPT
SCHEMBL15979052 0.78 KCNH2 (0.43) NR3C2MMP12KCNH2MGLLMAPT
SCHEMBL592791 0.72 NR3C2 (0.47) NR3C2MMP12KCNH2MAPTALDH1A1
SCHEMBL29712026 0.72 NR3C2 (0.47) NR3C2MMP12KCNH2MAPTALDH1A1
SCHEMBL3262979 0.72 NR3C2 (0.47) NR3C2MMP12KCNH2MGLLMAPT
SCHEMBL3243927 0.72 ALDH1A1 (0.44) NR3C2MAPTALDH1A1PARP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2181996-A1 Aminopiperidine derivatives GLAXO GROUP LIMITED (GB) 2010-05-05 EP disclosed
US-7691850-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2010-04-06 US disclosed
EP-1784410-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2009-07-15 EP disclosed
US-20080194547-A1 Antibacterial Agents GLAXO GROUP LIMITED (GB) 2008-08-14 US disclosed
US-7312212-B2 Aminopiperidine derivatives GLAXO GROUP LIMITED (GB) 2007-12-25 US disclosed
US-20070287701-A1 6-({[(1-{2-[6-(methyloxy)-1,5-naphthyridin-4-yl]ethyl}-3-pyrrolidinyl)methyl]amino}methyl)-2H-pyrido[3,2-b][1,4]thiazin-3(4H)-one; bacterial infections; antibiotic resistance; Staphylococcus aureus, Streptococcus pneumoniae and pyogenes, Enterococcus; Haemophilus influenzae, Moraxella catarrhalis, E-coli SMITHKLINE BEECHAM CORPORATION 2007-12-13 US disclosed
US-20070254872-A1 Antibacterial Agents GLAXO GROUP LIMITED (GB) 2007-11-01 US disclosed
US-20070161627-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2007-07-12 US disclosed
EP-1784410-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-05-16 EP disclosed
EP-1773831-A1 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-04-18 EP disclosed
WO-2006020561-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-02-23 WO disclosed
WO-2006014580-A1 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-02-09 WO disclosed
US-20050159411-A1 Aminopiperidine derivatives GLAXO GROUP LIMITED (GB) 2005-07-21 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 (5 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-20070287701-A1 6-({[(1-{2-[6-(methyloxy)-1,5-naphthyridin-4-yl]ethyl}-3-pyrrolidinyl)methyl]amino}methyl)-2H-pyrido[3,2-b][1,4]thiazin-3(4H)-one; bacterial infections; antibiotic resistance; Staphylococcus aureus, Streptococcus pneumoniae and pyogenes, Enterococcus; Haemophilus influenzae, Moraxella catarrhalis, E-coli NPM1, TOP1, HMGB1 NR3C2 632/4885MMP12 983/4885KCNH2 3440/4885
US-20070161627-A1 Antibacterial agents NQO2, NQO1, NDUFV2 NR3C2 4033/4885MMP12 1278/4885KCNH2 2586/4885
US-20070254872-A1 Antibacterial Agents NQO2, NQO1, NDUFV2 NR3C2 4033/4885MMP12 1278/4885KCNH2 2586/4885
US-20050159411-A1 Aminopiperidine derivatives AMPD2, AMPD3, NPEPPS NR3C2 4458/4885MMP12 2523/4885KCNH2 1182/4885
US-20080194547-A1 Antibacterial Agents NQO2, NQO1, NDUFV2 NR3C2 3744/4885MMP12 1558/4885KCNH2 3310/4885

“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.