SCHEMBL3673946

SCHEMBL3673946

O=C(O)C1CCc2c1[nH]c1ccc(Cl)cc21

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 13/20 0.78
SIRT2 Q8IXJ6 3/20 0.67
SIRT3 Q9NTG7 2/20 0.67
MAPKAPK2 P49137 1/20 0.64
ALOX15 P16050 3/20 0.60
LMNA P02545 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
TP53 P04637 1/20 0.60
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
MAPT P10636 2/20 0.59
TSHR P16473 1/20 0.57
MAPK1 P28482 1/20 0.56
KDM4E B2RXH2 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL1674922 0.92 SIRT1 (0.79) SIRT1SIRT2SIRT3MAPKAPK2ALOX15
SCHEMBL3484154 0.88 SIRT1 (1.00) SIRT1SIRT2SIRT3ALOX15LMNA
SCHEMBL11318495 0.84 MAPKAPK2 (0.66) SIRT1SIRT2SIRT3MAPKAPK2ALOX15
SCHEMBL16266067 0.84 SIRT1 (0.73) SIRT1SIRT2SIRT3ALOX15LMNA
SCHEMBL3671656 0.83 SIRT1 (0.85) SIRT1SIRT2SIRT3LMNAMEN1
SCHEMBL11682467 0.82 SIRT1 (0.60) SIRT1SIRT2SIRT3MAPKAPK2ALOX15
SCHEMBL1875568 0.81 SIRT1 (0.64) SIRT1SIRT2SIRT3MAPKAPK2ALOX15
SCHEMBL12990011 0.80 SIRT1 (0.77) SIRT1SIRT2SIRT3ALOX15LMNA
SCHEMBL1870769 0.80 SIRT1 (1.00) SIRT1SIRT2SIRT3ALOX15LMNA
SCHEMBL1874310 0.80 SIRT1 (1.00) SIRT1SIRT2SIRT3ALOX15LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160113903-A1 SirT INHIBITORS THAT BIND TO NAD ELIXIR PHARMACEUTICALS, INC. (US) 2016-04-28 US disclosed
US-20140163029-A1 SirT INHIBITORS THAT BIND TO NAD ELIXIR PHARMACEUTICALS, INC. (US) 2014-06-12 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
US-20090022694-A1 SIRT1 INHIBITION ELIXIR PHARMACEUTICALS, INC. 2009-01-22 US disclosed
US-20080214800-A1 Deacetylase which uses NAD as a cofactor; treating sirtuin related disorders ELIXIR PHARMACEUTICALS, INC. 2008-09-04 US disclosed
US-20050256181-A1 Treating a viral disorder ELIXIR PHARMACEUTICALS, INC. 2005-11-17 US disclosed
US-20050209300-A1 Methods of treating a disorder IPSOL AG (LI) 2005-09-22 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 1/4885SIRT2 3/4885SIRT3 2/4885
US-20080214800-A1 Deacetylase which uses NAD as a cofactor; treating sirtuin related disorders SIRT3, SIRT1, SIRT2 SIRT1 2/4885SIRT2 3/4885SIRT3 1/4885
US-20100210692-A1 METHODS OF TREATMENT USING SIRT MODULATORS AND COMPOSITIONS CONTAINING SIRT1 MODULATORS SIRT1, SIRT2, SIRT3 SIRT1 1/4885SIRT2 2/4885SIRT3 3/4885
US-20090022694-A1 SIRT1 INHIBITION SIRT1, SIRT2, SIRT3 SIRT1 1/4885SIRT2 2/4885SIRT3 3/4885
US-20140163029-A1 SirT INHIBITORS THAT BIND TO NAD SIRT1, SIRT3, SIRT2 SIRT1 1/4885SIRT2 3/4885SIRT3 2/4885
US-20050209300-A1 Methods of treating a disorder CPT1B, CYP27A1, CLN6 SIRT1 2717/4885SIRT2 3170/4885SIRT3 2488/4885
US-20090306168-A1 SirT Inhibitors That Bind to NAD SIRT1, SIRT3, SIRT2 SIRT1 1/4885SIRT2 3/4885SIRT3 2/4885
US-20050256181-A1 Treating a viral disorder HAVCR2, EIF2AK2, RPL35 SIRT1 1460/4885SIRT2 2707/4885SIRT3 1934/4885

“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.