SCHEMBL984667

SCHEMBL984667

O=[N+]([O-])c1ccccc1-c1nc2cccnc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
MGAM O43451 1/20 0.49
SI P14410 1/20 0.49
MGAM2 Q2M2H8 1/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
POLB P06746 3/20 0.47
ALDH1A1 P00352 4/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 2/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PDE10A Q9Y233 1/20 0.44
MAPT P10636 4/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.42
GUSB P08236 1/20 0.42
MEN1 O00255 1/20 0.42
F2 P00734 1/20 0.42
C1R P00736 1/20 0.42

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
SCHEMBL3053833 0.80 APP (0.60) GAAMGAMSIMGAM2NPC1
SCHEMBL221374 0.79 MGAM (0.45) GAAMGAMSIMGAM2NPC1
SCHEMBL12342536 0.76 MGAM (0.42) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2636570 0.76 MGAM (0.42) GAAMGAMSIMGAM2NPC1
SCHEMBL13345952 0.76 MGAM (0.42) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL221258 0.76 MGAM (0.42) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2636936 0.76 MGAM (0.42) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL12342538 0.76 MGAM (0.45) GAAMGAMSIMGAM2NPC1
SCHEMBL12167548 0.76 MGAM (0.42) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1008844 0.76 MGAM (0.53) GAAMGAMSIMGAM2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492401-B2 Thiazolopyridine sirtuin modulating compounds GLAXOSMITHKLINE LLC (US) 2013-07-23 US disclosed
US-8492401-B2 Thiazolopyridine sirtuin modulating compounds GLAXOSMITHKLINE LLC (US) 2013-07-23 US disclosed
US-8492401-B2 Thiazolopyridine sirtuin modulating compounds GLAXOSMITHKLINE LLC (US) 2013-07-23 US disclosed
US-20130085155-A1 THIAZOLOPYRIDINE SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS (US) 2013-04-04 US disclosed
US-20130085155-A1 THIAZOLOPYRIDINE SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS (US) 2013-04-04 US disclosed
US-20130085155-A1 THIAZOLOPYRIDINE SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS (US) 2013-04-04 US disclosed
US-8343997-B2 Thiazolopyridine sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2013-01-01 US disclosed
US-8343997-B2 Thiazolopyridine sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2013-01-01 US disclosed
US-8343997-B2 Thiazolopyridine sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2013-01-01 US disclosed
US-20110306609-A1 THIAZOLOPYRIDINE SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC., 2011-12-15 US disclosed
US-20110306609-A1 THIAZOLOPYRIDINE SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC., 2011-12-15 US disclosed
US-20110306609-A1 THIAZOLOPYRIDINE SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC., 2011-12-15 US disclosed
EP-2376502-A1 THIAZOLOPYRIDINE SIRTUIN MODULATING COMPOUNDS Sirtris Pharmaceuticals, Inc. (US) 2011-10-19 EP disclosed
US-20110009381-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTIS PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
US-20110009381-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTIS PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
EP-2217606-A1 SOLUBILIZED THIAZOLOPYRIDINES Sirtris Pharmaceuticals, Inc. (US) 2010-08-18 EP disclosed
WO-2010071853-A1 THIAZOLOPYRIDINE SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-06-24 WO disclosed
WO-2010071853-A1 THIAZOLOPYRIDINE SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-06-24 WO disclosed
WO-2009061453-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTRIS PHARMACEUTICALS, INC. (US) 2009-05-14 WO disclosed
WO-2009061453-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTRIS PHARMACEUTICALS, INC. (US) 2009-05-14 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 (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-20110009381-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRT3, SIRT1, SIRT2 GAA 443/4885MGAM 3211/4885SI 1391/4885
US-20130085155-A1 THIAZOLOPYRIDINE SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 GAA 768/4885MGAM 3759/4885SI 2015/4885
US-20110306609-A1 THIAZOLOPYRIDINE SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 GAA 768/4885MGAM 3759/4885SI 2015/4885

“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.