SCHEMBL5260811

SCHEMBL5260811

COC(=O)c1cnc2snnc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
NSD2 O96028 2/20 0.44
POLB P06746 1/20 0.44
BLM P54132 1/20 0.44
MAPK1 P28482 2/20 0.42
ATM Q13315 1/20 0.42
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
THRB P10828 1/20 0.40
PSMD14 O00487 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38

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
SCHEMBL25487306 0.82 NPC1 (0.43) MAPTPOLBTHRBNPC1RAB9A
SCHEMBL5262551 0.80 MGAM (0.42) POLBKDM4EL3MBTL1THRBPSMD14
SCHEMBL4281565 0.76 MAPK1 (0.44) MAPTPOLBMAPK1ATMKDM4E
SCHEMBL5748777 0.75 GSK3B (0.37) MAPTPOLBMAPK1THRBNPC1
SCHEMBL4277300 0.73 THRB (0.68) MAPTPOLBBLMTHRBNPC1
SCHEMBL31258323 0.73 THRB (0.68) MAPTPOLBBLMTHRBNPC1
SCHEMBL11997724 0.73 CYP3A4 (0.47) MAPTMAPK1ATMKDM4EL3MBTL1
SCHEMBL507588 0.70 NSD2 (0.65) MAPTNSD2POLBBLMKDM4E
SCHEMBL6778558 0.70 PSMD14 (0.39) POLBMAPK1ATMKDM4EL3MBTL1
SCHEMBL1285625 0.69 MAPK1 (0.46) POLBMAPK1ATMKDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 MAPT 4478/4885NSD2 1863/4885POLB 1032/4885
US-20070135422-A1 Nitrogen-containing bicycle heterocycles for use as antibacterials NRDC, NUCB2, NISCH MAPT 4694/4885NSD2 1971/4885POLB 822/4885

“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.