SCHEMBL4610482

SCHEMBL4610482

Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 13/20 0.65
CHRM2 P08172 1/20 0.58
ADRA2A P08913 1/20 0.58
CHRM1 P11229 1/20 0.58
SLC6A2 P23975 1/20 0.58
SIRT2 Q8IXJ6 1/20 0.58
SIRT3 Q9NTG7 1/20 0.58
AR P10275 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CXCR4 P61073 1/20 0.36

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
SCHEMBL222169 0.90 SIRT1 (0.52) SIRT1CHRM2ADRA2ACHRM1SLC6A2
Tert-Butyl Formate SCHEMBL27735338 0.89 SIRT1 (0.56) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL221866 0.87 SIRT1 (0.50) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL3503103 0.86 SIRT1 (0.49) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL4695257 0.84 SIRT1 (0.55) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL13660063 0.82 SIRT1 (0.71) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL12167509 0.80 SIRT1 (0.87) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL2624783 0.79 SIRT1 (1.00) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL11987212 0.78 SIRT1 (0.42) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL220889 0.78 SIRT1 (0.47) SIRT1CHRM2ADRA2ACHRM1SLC6A2

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-2993236-A1 SIRTUIN ACTIVATORS AND ACTIVATION ASSAYS Glaxosmithkline LLC (US) 2016-03-09 EP disclosed
US-20130102009-A1 SIRTUIN ACTIVATORS AND ACTIVATION ASSAYS GLAXOSMITHKLINE LLC 2013-04-25 US disclosed
US-20130102009-A1 SIRTUIN ACTIVATORS AND ACTIVATION ASSAYS GLAXOSMITHKLINE LLC 2013-04-25 US disclosed
WO-2011130595-A2 SIRTUIN ACTIVATORS AND ACTIVATION ASSAYS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-10-20 WO disclosed
EP-1910384-A1 IMIDAZO [2,1-B]THIAYOLE DERIVATIVES AS SIRTUIN MODULATING COMPOUNDS Sirtris Pharmaceuticals, Inc. (US) 2008-04-16 EP disclosed
WO-2007019344-A1 IMIDAZO [2,1-B] THIAYOLE DERIVATIVES AS SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 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 (1 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-20130102009-A1 SIRTUIN ACTIVATORS AND ACTIVATION ASSAYS SIRT1, SIRT7, SIRT2 SIRT1 1/4885CHRM2 3573/4885ADRA2A 2253/4885

“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.