SCHEMBL1866945

SCHEMBL1866945

NC(=O)C1CCc2c([nH]c3ccc(Br)cc23)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 5/20 1.00
MAPT P10636 3/20 0.52
BAZ2B Q9UIF8 2/20 0.47
HTR1B P28222 2/20 0.45
HSD17B10 Q99714 1/20 0.45
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 2/20 0.42
LMNA P02545 1/20 0.42
DHODH Q02127 1/20 0.42
USP2 O75604 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL8241723 1.00 SIRT1 (1.00) SIRT1MAPTBAZ2BHTR1BHSD17B10
SCHEMBL8241727 1.00 SIRT1 (1.00) SIRT1MAPTBAZ2BHTR1BHSD17B10
SCHEMBL1874857 0.88 SIRT1 (0.79) SIRT1MAPTBAZ2BHSD17B10ALDH1A1
SCHEMBL11680018 0.85 SIRT1 (1.00) SIRT1MAPTBAZ2BMAPK1
SCHEMBL8592516 0.81 SIRT1 (0.68) SIRT1
Hydrochloric Acid SCHEMBL8595142 0.80 SIRT1 (0.67) SIRT1
SCHEMBL16265980 0.79 SIRT1 (0.65) SIRT1HTR1BHTR1D
SCHEMBL20615464 0.77 SIRT1 (0.62) SIRT1MAPTBAZ2BALDH1A1MAPK1
SCHEMBL11269215 0.77 SIRT1 (0.62) SIRT1MAPTBAZ2B
Hydrochloric Acid SCHEMBL20601993 0.76 SIRT1 (0.61) SIRT1MAPTBAZ2BALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140030295-A1 Use of Sirt1 Activators or Inhibitors to Modulate an Immune Response THE J. DAVID GLADSTONE INSTITUTES (US) 2014-01-30 US claimed
US-20100330114-A1 Use of SIRT1 Activators or Inhibitors to Modulate an Immune Response NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-12-30 US claimed
WO-2009099643-A1 USE OF SIRT1 ACTIVATORS OR INHIBITORS TO MODULATE AN IMMUNE RESPONSE THE J. DAVID GLADSTONE INSTITUTES (US) 2009-08-13 WO claimed
US-20160113903-A1 SirT INHIBITORS THAT BIND TO NAD ELIXIR PHARMACEUTICALS, INC. (US) 2016-04-28 US disclosed
EP-1677794-B1 METHODS OF TREATING DISORDER ELIXIR PHARMACEUTICALS INC (US) 2014-12-03 EP disclosed
US-20140163029-A1 SirT INHIBITORS THAT BIND TO NAD ELIXIR PHARMACEUTICALS, INC. (US) 2014-06-12 US disclosed
US-8748464-B2 Use of SIRT1 activators or inhibitors to modulate an immune response THE J. DAVID GLADSTONE INSTITUTES (US) 2014-06-10 US disclosed
US-20140030295-A1 Use of Sirt1 Activators or Inhibitors to Modulate an Immune Response THE J. DAVID GLADSTONE INSTITUTES (US) 2014-01-30 US disclosed
US-20110104177-A1 HISTONE DEACETYLASE INHIBITORS, COMBINATION THERAPIES AND METHODS OF USE THE JOHNS HOPKINS UNIVERSITY (US) 2011-05-05 US disclosed
US-20100330114-A1 Use of SIRT1 Activators or Inhibitors to Modulate an Immune Response NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-12-30 US disclosed
US-20100210692-A1 METHODS OF TREATMENT USING SIRT MODULATORS AND COMPOSITIONS CONTAINING SIRT1 MODULATORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-08-19 US disclosed
US-20090306168-A1 SirT Inhibitors That Bind to NAD ELIXIR PHARMACEUTICALS, INC. (US) 2009-12-10 US disclosed
WO-2009099643-A1 USE OF SIRT1 ACTIVATORS OR INHIBITORS TO MODULATE AN IMMUNE RESPONSE THE J. DAVID GLADSTONE INSTITUTES (US) 2009-08-13 WO disclosed
US-20090022694-A1 SIRT1 INHIBITION ELIXIR PHARMACEUTICALS, INC. 2009-01-22 US 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 (8 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-20160113903-A1 SirT INHIBITORS THAT BIND TO NAD SIRT1, SIRT3, SIRT2 SIRT1 1/4885MAPT 451/4885BAZ2B 250/4885
US-20100330114-A1 Use of SIRT1 Activators or Inhibitors to Modulate an Immune Response SIRT1, SIRT2, NFATC1 SIRT1 1/4885MAPT 2086/4885BAZ2B 600/4885
US-20100210692-A1 METHODS OF TREATMENT USING SIRT MODULATORS AND COMPOSITIONS CONTAINING SIRT1 MODULATORS SIRT1, SIRT2, SIRT3 SIRT1 1/4885MAPT 2723/4885BAZ2B 213/4885
US-20140030295-A1 Use of Sirt1 Activators or Inhibitors to Modulate an Immune Response SIRT1, SIRT2, NFATC1 SIRT1 1/4885MAPT 2086/4885BAZ2B 600/4885
US-20090022694-A1 SIRT1 INHIBITION SIRT1, SIRT2, SIRT3 SIRT1 1/4885MAPT 2639/4885BAZ2B 306/4885
US-20110104177-A1 HISTONE DEACETYLASE INHIBITORS, COMBINATION THERAPIES AND METHODS OF USE HDAC1, HDAC5, HDAC4 SIRT1 12/4885MAPT 3378/4885BAZ2B 27/4885
US-20140163029-A1 SirT INHIBITORS THAT BIND TO NAD SIRT1, SIRT3, SIRT2 SIRT1 1/4885MAPT 451/4885BAZ2B 250/4885
US-20090306168-A1 SirT Inhibitors That Bind to NAD SIRT1, SIRT3, SIRT2 SIRT1 1/4885MAPT 451/4885BAZ2B 250/4885

“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.