SCHEMBL1872852

SCHEMBL1872852

O=C(O)C1CCCc2c1[nH]c1ccc(F)cc21

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 13/20 0.73
BRD3 Q15059 5/20 0.63
MAPKAPK2 P49137 1/20 0.62
SIRT2 Q8IXJ6 5/20 0.57
SIRT3 Q9NTG7 2/20 0.57
RECQL P46063 1/20 0.57
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
ALOX15 P16050 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL11741199 0.90 SIRT1 (0.62) SIRT1BRD3MAPKAPK2SIRT2SIRT3
SCHEMBL31328289 0.88 SIRT1 (0.75) SIRT1BRD3MAPKAPK2SIRT2SIRT3
SCHEMBL1873883 0.85 SIRT1 (0.79) SIRT1MAPKAPK2SIRT2SIRT3RECQL
SCHEMBL1674922 0.84 SIRT1 (0.79) SIRT1MAPKAPK2SIRT2SIRT3LMNA
SCHEMBL1872225 0.84 SIRT1 (1.00) SIRT1SIRT2SIRT3RECQLLMNA
SCHEMBL1870436 0.84 SIRT1 (0.73) SIRT1SIRT2SIRT3RECQLLMNA
SCHEMBL16266024 0.82 MAPT (0.77) SIRT1BRD3SIRT2SIRT3RECQL
SCHEMBL31328292 0.82 MAPT (0.77) SIRT1BRD3SIRT2SIRT3RECQL
SCHEMBL9019672 0.81 BRD3 (0.60) BRD3MAPKAPK2
SCHEMBL11736040 0.81 SIRT1 (1.00) SIRT1MAPKAPK2SIRT2SIRT3RECQL

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 11 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-20110104177-A1 HISTONE DEACETYLASE INHIBITORS, COMBINATION THERAPIES AND METHODS OF USE THE JOHNS HOPKINS UNIVERSITY (US) 2011-05-05 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
US-4057640-A ANTIINFLAMMATORY SCHERING AKTIENGESELLSCHAFT (DT) 1977-11-08 US disclosed
US-3956295-A ANTIINFLAMMATORY SCHERING AKTIENGESELLSCHAFT (DT) 1976-05-11 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 (9 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 1/4885BRD3 488/4885MAPKAPK2 1946/4885
US-20080214800-A1 Deacetylase which uses NAD as a cofactor; treating sirtuin related disorders SIRT3, SIRT1, SIRT2 SIRT1 2/4885BRD3 346/4885MAPKAPK2 3471/4885
US-20100210692-A1 METHODS OF TREATMENT USING SIRT MODULATORS AND COMPOSITIONS CONTAINING SIRT1 MODULATORS SIRT1, SIRT2, SIRT3 SIRT1 1/4885BRD3 82/4885MAPKAPK2 1096/4885
US-20090022694-A1 SIRT1 INHIBITION SIRT1, SIRT2, SIRT3 SIRT1 1/4885BRD3 184/4885MAPKAPK2 742/4885
US-20110104177-A1 HISTONE DEACETYLASE INHIBITORS, COMBINATION THERAPIES AND METHODS OF USE HDAC1, HDAC5, HDAC4 SIRT1 12/4885BRD3 32/4885MAPKAPK2 1276/4885
US-20140163029-A1 SirT INHIBITORS THAT BIND TO NAD SIRT1, SIRT3, SIRT2 SIRT1 1/4885BRD3 488/4885MAPKAPK2 1946/4885
US-20050209300-A1 Methods of treating a disorder CPT1B, CYP27A1, CLN6 SIRT1 2717/4885BRD3 3230/4885MAPKAPK2 3833/4885
US-20090306168-A1 SirT Inhibitors That Bind to NAD SIRT1, SIRT3, SIRT2 SIRT1 1/4885BRD3 488/4885MAPKAPK2 1946/4885
US-20050256181-A1 Treating a viral disorder HAVCR2, EIF2AK2, RPL35 SIRT1 1460/4885BRD3 1610/4885MAPKAPK2 4708/4885

“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.