SCHEMBL2768655

SCHEMBL2768655

O=Cc1cnc2snnc2c1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL4283276 0.72 PIK3CD (0.35) KDM4EALDH1A1L3MBTL1
SCHEMBL5262551 0.69 MGAM (0.42) KDM4EALDH1A1L3MBTL1
SCHEMBL5748777 0.68 GSK3B (0.37) ALDH1A1
SCHEMBL2767305 0.68 THRB (0.46) KDM4EALDH1A1
SCHEMBL21481142 0.67 KCNH2 (0.30)
SCHEMBL2767964 0.64 ALDH1A1 (0.43) KDM4EALDH1A1L3MBTL1
SCHEMBL3328844 0.64 TDO2 (0.37) KDM4EALDH1A1L3MBTL1
SCHEMBL19436087 0.63 CYP2A6 (0.50)
SCHEMBL13544045 0.63 KDM4E (0.42) KDM4EALDH1A1L3MBTL1
SCHEMBL3275055 0.63 KDM4E (0.36) KDM4EALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184751-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS BALLELL-PAGES LLUIS 2010-07-22 US disclosed
US-7732460-B2 Heterocyclic compounds, their preparation and their use as antibacterials GLAXO GROUP LIMITED (GB) 2010-06-08 US disclosed
EP-1963324-B1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LTD (GB) 2010-04-21 EP disclosed
US-20090036433-A1 Heterocyclic Compounds, their Preparation and their Use as Antibacterials GLAXO GROUP LIMITED (GB) 2009-02-05 US disclosed
EP-2005995-A1 Heterocyclic compounds for the treatment of tuberculosis GLAXO GROUP LIMITED (GB) 2008-12-24 EP disclosed
EP-1399443-B1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2007-12-12 EP disclosed
US-20070185153-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
US-20070135422-A1 Nitrogen-containing bicycle heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. 2007-06-14 US disclosed
US-7141564-B2 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2006-11-28 US disclosed
US-7109213-B2 Aminopiperidine compounds, process for their preparation, and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 2006-09-19 US disclosed
US-20050085494-A1 Aminopiperidine compounds, process for their preparation, and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 2005-04-21 US disclosed
EP-1470131-A2 AMINOPIPERIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM 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
EP-1399443-A1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2004-03-24 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-2003064431-A2 AMINOPIPERIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 2003-08-07 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 (6 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 KDM4E 3867/4885ALDH1A1 3787/4885L3MBTL1 963/4885
US-20070135422-A1 Nitrogen-containing bicycle heterocycles for use as antibacterials NRDC, NUCB2, NISCH KDM4E 4047/4885ALDH1A1 3931/4885L3MBTL1 1467/4885
US-20070185153-A1 COMPOUNDS NRDC, NISCH, MRPL21 KDM4E 4293/4885ALDH1A1 4225/4885L3MBTL1 1810/4885
US-20050085494-A1 Aminopiperidine compounds, process for their preparation, and pharmaceutical compositions containing them NPEPPS, AASDHPPT, DNPEP KDM4E 1243/4885ALDH1A1 3152/4885L3MBTL1 4592/4885
US-20100184751-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS SDHA, SDHB, NNT KDM4E 3949/4885ALDH1A1 1245/4885L3MBTL1 3801/4885
US-20090036433-A1 Heterocyclic Compounds, their Preparation and their Use as Antibacterials MRPL21, NACA, NISCH KDM4E 4122/4885ALDH1A1 2482/4885L3MBTL1 3855/4885

“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.