SCHEMBL3676864

SCHEMBL3676864

Cc1ccc2[nH]c3c(c2c1)CCCC3CN

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 7/20 0.62
SIRT2 Q8IXJ6 3/20 0.62
RECQL P46063 1/20 0.62
CDKN1A P38936 1/20 0.58
GAA P10253 2/20 0.58
CASP6 P55212 1/20 0.58
PRMT5 O14744 2/20 0.54
PTGES O14684 1/20 0.49
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
KIF11 P52732 3/20 0.45
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SIRT3 Q9NTG7 2/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL4162971 0.84 DHODH (0.58) SIRT1SIRT2RECQLCDKN1ALMNA
SCHEMBL16941531 0.82 CDKN1A (0.72) SIRT1SIRT2RECQLCDKN1AGAA
SCHEMBL4027054 0.82 SIRT1 (0.66) SIRT1SIRT2RECQLCDKN1AGAA
SCHEMBL15101410 0.80 SIRT1 (0.65) SIRT1SIRT2RECQLCDKN1AGAA
SCHEMBL12325749 0.79 SIRT1 (0.67) SIRT1SIRT2RECQLCDKN1AGAA
SCHEMBL22099515 0.78 SIRT1 (0.54) SIRT1SIRT2RECQLCDKN1AGAA
SCHEMBL9610872 0.78 SIRT1 (0.62) SIRT1SIRT2RECQLCDKN1AGAA
SCHEMBL16433448 0.78 SIRT1 (0.53) SIRT1SIRT2RECQLCDKN1AGAA
SCHEMBL4152508 0.77 GAA (0.78) SIRT1SIRT2RECQLCDKN1AGAA
SCHEMBL15267113 0.77 GAA (0.53) SIRT1SIRT2RECQLCDKN1AGAA

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 9 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
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-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 3/4885RECQL 638/4885
US-20080214800-A1 Deacetylase which uses NAD as a cofactor; treating sirtuin related disorders SIRT3, SIRT1, SIRT2 SIRT1 2/4885SIRT2 3/4885RECQL 459/4885
US-20100210692-A1 METHODS OF TREATMENT USING SIRT MODULATORS AND COMPOSITIONS CONTAINING SIRT1 MODULATORS SIRT1, SIRT2, SIRT3 SIRT1 1/4885SIRT2 2/4885RECQL 1047/4885
US-20090022694-A1 SIRT1 INHIBITION SIRT1, SIRT2, SIRT3 SIRT1 1/4885SIRT2 2/4885RECQL 2804/4885
US-20140163029-A1 SirT INHIBITORS THAT BIND TO NAD SIRT1, SIRT3, SIRT2 SIRT1 1/4885SIRT2 3/4885RECQL 638/4885
US-20050209300-A1 Methods of treating a disorder CPT1B, CYP27A1, CLN6 SIRT1 2717/4885SIRT2 3170/4885RECQL 354/4885
US-20090306168-A1 SirT Inhibitors That Bind to NAD SIRT1, SIRT3, SIRT2 SIRT1 1/4885SIRT2 3/4885RECQL 638/4885
US-20050256181-A1 Treating a viral disorder HAVCR2, EIF2AK2, RPL35 SIRT1 1460/4885SIRT2 2707/4885RECQL 152/4885

“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.