SCHEMBL2481316

SCHEMBL2481316

COC(=O)c1cnc(Cl)c(NC(=O)c2ccccc2[N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.60
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 1/20 0.50
MAPK1 P28482 2/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 3/20 0.49
HPGD P15428 1/20 0.49
ATM Q13315 1/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL220700 0.84 KDM4E (0.63) ALDH1A1KDM4EPOLBHTTHPGD
SCHEMBL2506958 0.82 MEN1 (0.54) ALDH1A1KDM4EHTTHPGDATM
SCHEMBL7721973 0.77 ALDH1A1 (0.70) ALDH1A1KDM4EMAPK1MAPTHTT
SCHEMBL70813 0.77 MAPT (0.63) LMNAALDH1A1KDM4EMAPK1POLB
SCHEMBL23685429 0.77 LMNA (0.50) LMNAALDH1A1KDM4EMAPK1POLB
SCHEMBL29716051 0.77 LMNA (0.50) LMNAALDH1A1KDM4EMAPK1POLB
SCHEMBL986256 0.77 HTT (0.65) ALDH1A1HTTHPGDATMGAA
SCHEMBL7721009 0.76 ALDH1A1 (0.69) ALDH1A1KDM4EMAPK1POLBMAPT
SCHEMBL7721863 0.76 ALDH1A1 (0.69) ALDH1A1KDM4EMAPK1POLBMAPT
SCHEMBL4958960 0.76 ALDH1A1 (0.77) LMNAALDH1A1MAPK1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376502-B1 THIAZOLOPYRIDINE SIRTUIN MODULATING COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-06-17 EP disclosed
EP-2376502-B1 THIAZOLOPYRIDINE SIRTUIN MODULATING COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-06-17 EP 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-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
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

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-20130085155-A1 THIAZOLOPYRIDINE SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 LMNA 3206/4885ALDH1A1 722/4885KDM4E 2933/4885
US-20110306609-A1 THIAZOLOPYRIDINE SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 LMNA 3206/4885ALDH1A1 722/4885KDM4E 2933/4885

“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.