SCHEMBL3579328

SCHEMBL3579328

O=C1COc2cnc(CO)cc2N1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 2/20 0.46
PARP1 P09874 3/20 0.46
MMP12 P39900 1/20 0.45
ALDH1A1 P00352 4/20 0.45
MAPT P10636 4/20 0.45
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
PKM P14618 1/20 0.40
NSD2 O96028 1/20 0.40
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
RXFP1 Q9HBX9 1/20 0.39
GAA P10253 1/20 0.39
KCNH2 Q12809 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
SCHEMBL3577706 0.80 PARP1 (0.45) NR3C2PARP1MMP12ALDH1A1MAPT
SCHEMBL29879244 0.80 MMP12 (0.49) NR3C2PARP1MMP12ALDH1A1MAPT
SCHEMBL14358971 0.80 MMP12 (0.49) NR3C2PARP1MMP12ALDH1A1MAPT
SCHEMBL1335073 0.76 MMP12 (0.49) NR3C2PARP1MMP12ALDH1A1MAPT
SCHEMBL12002280 0.76 MMP12 (0.57) NR3C2PARP1MMP12ALDH1A1MAPT
SCHEMBL5310732 0.76 GAA (0.47) NR3C2PARP1MMP12ALDH1A1MAPT
SCHEMBL2797549 0.74 MMP12 (0.46) NR3C2PARP1MMP12ALDH1A1MAPT
SCHEMBL5251708 0.73 NR3C2 (0.51) NR3C2PARP1MMP12ALDH1A1MAPT
SCHEMBL18237508 0.73 MMP12 (0.49) NR3C2PARP1MMP12ALDH1A1MAPT
SCHEMBL554735 0.72 PARP1 (0.72) NR3C2PARP1MMP12ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1537123-B1 AMINO-SUBSTITUTED CYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS GLAXO GROUP LTD (GB) 2009-04-29 EP disclosed
EP-1399443-B1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2007-12-12 EP 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-20060189604-A1 Compounds GLAXO GROUP LIMITED (GB) 2006-08-24 US disclosed
EP-1537123-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-06-08 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-2004002992-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-01-08 WO disclosed
WO-2003087098-A1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2003-10-23 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 NR3C2 2370/4885PARP1 1657/4885MMP12 2500/4885
US-20070135422-A1 Nitrogen-containing bicycle heterocycles for use as antibacterials NRDC, NUCB2, NISCH NR3C2 1932/4885PARP1 1770/4885MMP12 2804/4885
US-20060189604-A1 Compounds ELANE, PIGS, SDHA NR3C2 1826/4885PARP1 1578/4885MMP12 1979/4885
US-20100081650-A1 Antimicrobial Compounds ELANE, NISCH, PIGS NR3C2 3510/4885PARP1 2664/4885MMP12 1924/4885

“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.