SCHEMBL2484645

SCHEMBL2484645

O=C(O)c1nc(-c2ccccc2)oc1CN1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
MAPK1 P28482 1/20 0.51
DGAT1 O75907 4/20 0.48
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
KDM5B Q9UGL1 1/20 0.42
CXCR4 P61073 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
SCHEMBL2487311 0.90 RAB9A (0.49) ALDH1A1KDM4EMAPK1RAB9A
SCHEMBL12030423 0.88 RAB9A (0.51) ALDH1A1KDM4EMAPK1RAB9A
SCHEMBL2485150 0.81 GSK3B (0.44) ALDH1A1KDM4EMAPK1DGAT1RAB9A
SCHEMBL13345625 0.79 CKS1B (0.47) KDM4EDGAT1SMN1; SMN2
SCHEMBL12030415 0.79 RAB9A (0.49) ALDH1A1KDM4EMAPK1RAB9ASMN1; SMN2
SCHEMBL23413438 0.77 ALDH1A1 (0.75) ALDH1A1KDM4EMAPK1DGAT1SMN1; SMN2
SCHEMBL3615928 0.77 PPARG (0.40) ALDH1A1KDM4EMAPK1DGAT1
SCHEMBL596762 0.75 TARBP2 (0.52) ALDH1A1KDM4EDGAT1RAB9ASMN1; SMN2
SCHEMBL3611262 0.75 IKBKB (0.50) ALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL2879336 0.75 IKBKB (0.50) ALDH1A1KDM4EDGAT1RAB9ASMN1; SMN2

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 15 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
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 ALDH1A1 722/4885KDM4E 2933/4885MAPK1 1145/4885
US-20110306609-A1 THIAZOLOPYRIDINE SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 ALDH1A1 722/4885KDM4E 2933/4885MAPK1 1145/4885

“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.