SCHEMBL5262016

SCHEMBL5262016

O=C1COc2ccc(CO)nc2N1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 7/20 0.45
KCNH2 Q12809 7/20 0.41
PARP1 P09874 1/20 0.40
NR3C1 P04150 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
MMP12 P39900 1/20 0.40

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
SCHEMBL30918956 1.00 NR3C2 (0.45) NR3C2KCNH2PARP1NR3C1ALDH1A1
SCHEMBL14341466 0.84 NR3C2 (0.44) NR3C2KCNH2PARP1NR3C1ALDH1A1
SCHEMBL30918983 0.84 NR3C2 (0.44) NR3C2KCNH2PARP1NR3C1MMP12
SCHEMBL12235340 0.84 PARP1 (0.50) NR3C2KCNH2PARP1NR3C1MMP12
SCHEMBL14476544 0.84 NR3C2 (0.44) NR3C2KCNH2PARP1NR3C1ALDH1A1
SCHEMBL5260878 0.80 KCNH2 (0.43) NR3C2KCNH2
SCHEMBL17956688 0.80 KCNH2 (0.45) KCNH2
SCHEMBL17970284 0.76 KCNH2 (0.46) KCNH2
SCHEMBL592791 0.76 NR3C2 (0.47) NR3C2KCNH2PARP1NR3C1ALDH1A1
SCHEMBL4343340 0.76 NR3C2 (0.47) NR3C2PARP1NR3C1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243302-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORPORATION (US) 2014-08-28 US disclosed
US-20140243302-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORPORATION (US) 2014-08-28 US disclosed
US-20140243302-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORPORATION (US) 2014-08-28 US 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-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-09-02 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 (3 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 2370/4885KCNH2 3311/4885PARP1 1657/4885
US-20140243302-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS PAICS, SBDS, SORD NR3C2 3086/4885KCNH2 1381/4885PARP1 2112/4885
US-20070135422-A1 Nitrogen-containing bicycle heterocycles for use as antibacterials NRDC, NUCB2, NISCH NR3C2 1932/4885KCNH2 2699/4885PARP1 1770/4885

“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.