SCHEMBL962137

SCHEMBL962137

Nc1ccccc1-c1cn2c(Cn3cncn3)csc2n1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 13/20 0.40
CYP19A1 P11511 3/20 0.38
CHRM2 P08172 1/20 0.36
ADRA2A P08913 1/20 0.36
CHRM1 P11229 1/20 0.36
SLC6A2 P23975 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT3 Q9NTG7 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
SCHEMBL3643806 0.85 SIRT1 (0.42) SIRT1CYP19A1CHRM2ADRA2ACHRM1
Hydrochloric Acid SCHEMBL3734801 0.84 SIRT1 (0.41) SIRT1CYP19A1CHRM2ADRA2ACHRM1
SCHEMBL961871 0.82 F2RL3 (0.41) SIRT1CYP19A1CHRM2ADRA2ACHRM1
SCHEMBL3684024 0.79 CYP19A1 (0.37) SIRT1CYP19A1CHRM2ADRA2ACHRM1
SCHEMBL11987212 0.78 SIRT1 (0.42) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL222169 0.78 SIRT1 (0.52) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL13470784 0.76 SIRT1 (0.41) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL4610482 0.76 SIRT1 (0.65) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL221866 0.76 SIRT1 (0.50) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL220546 0.75 SIRT1 (0.38) 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2167510-B1 SIRTUIN MODULATING IMIDAZOTHIAZOLE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-02-25 EP disclosed
EP-2167510-B1 SIRTUIN MODULATING IMIDAZOTHIAZOLE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-02-25 EP disclosed
US-8247565-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2012-08-21 US disclosed
US-8247565-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2012-08-21 US disclosed
US-8247565-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2012-08-21 US disclosed
US-20110015192-A1 SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-01-20 US disclosed
US-20110015192-A1 SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-01-20 US disclosed
US-20110015192-A1 SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-01-20 US disclosed
US-7829556-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2010-11-09 US disclosed
US-7829556-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2010-11-09 US disclosed
US-7829556-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2010-11-09 US disclosed
EP-2167510-A1 SIRTUIN MODULATING IMIDAZOTHIAZOLE COMPOUNDS Sirtris Pharmaceuticals, Inc. (US) 2010-03-31 EP disclosed
US-20090012080-A1 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2009-01-08 US disclosed
US-20090012080-A1 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2009-01-08 US disclosed
US-20090012080-A1 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2009-01-08 US disclosed
WO-2008156866-A1 SIRTUIN MODULATING IMIDAZOTHIAZOLE COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2008-12-24 WO disclosed
WO-2008156866-A1 SIRTUIN MODULATING IMIDAZOTHIAZOLE COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2008-12-24 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-20090012080-A1 Sirtuin modulating compounds SIRT1, SIRT3, SIRT2 SIRT1 1/4885CYP19A1 944/4885CHRM2 4269/4885
US-20110015192-A1 SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 SIRT1 1/4885CYP19A1 1201/4885CHRM2 4595/4885

“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.