SCHEMBL419243

SCHEMBL419243

C=CCOc1ccc(-c2cccc(N)n2)c(C2CCC2)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NOS3 P29474 6/20 0.39
NOS1 P29475 6/20 0.39
NOS2 P35228 6/20 0.39
FEN1 P39748 12/20 0.37
ALOX5AP P20292 11/20 0.37

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
SCHEMBL6585159 0.81 NOS1 (0.59) NOS3NOS1NOS2FEN1ALOX5AP
SCHEMBL221954 0.80 NOS3 (0.58) KMT2ANOS3NOS1NOS2FEN1
SCHEMBL6584246 0.78 NOS1 (0.59) NOS3NOS1NOS2FEN1ALOX5AP
SCHEMBL221140 0.78 NOS3 (0.58) KMT2ANOS3NOS1NOS2FEN1
SCHEMBL252012 0.77 NOS1 (0.49) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL218605 0.76 NOS3 (0.59) KMT2ANOS3NOS1NOS2
SCHEMBL958723 0.76 NOS1 (0.53) NOS3NOS1NOS2FEN1ALOX5AP
SCHEMBL6584706 0.76 NOS1 (0.64) NOS3NOS1NOS2
SCHEMBL6583707 0.74 FEN1 (0.43) NOS3NOS1NOS2FEN1ALOX5AP
SCHEMBL251144 0.74 NOS1 (0.42) NOS3NOS1NOS2FEN1ALOX5AP

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030045449-A1 Pharmaceutical combinations for the treatment of neurodegenerative diseases PFIZER, INC. 2003-03-06 US claimed
US-10485814-B2 Nicotinamide riboside analogs and pharmaceutical compositions and uses thereof GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2019-11-26 US disclosed
WO-2018033639-A1 LACTONE INTERMEDIATES OF NICOTINAMIDE RIBOSIDE AND NICOTINATE RIBOSIDE THE QUEEN'S UNIVERSITY OF BELFAST (GB) 2018-02-22 WO disclosed
US-20170189433-A1 NICOTINAMIDE RIBOSIDE ANALOGS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-07-06 US disclosed
US-20150175645-A1 NICOTINAMIDE RIBOSIDE AND ANALOGUES THEREOF GLAXOSMITHKLINE LLC (US) 2015-06-25 US disclosed
EP-1910385-B1 BENZOTHIAZOLES AND THIAZOLOPYRIDINES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS INC (US) 2013-07-24 EP disclosed
US-20120197013-A1 SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2012-08-02 US disclosed
US-8163908-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2012-04-24 US disclosed
US-20120022254-A1 SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2012-01-26 US disclosed
US-8044198-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2011-10-25 US disclosed
US-20110009496-A1 RESVERATROL FORMULATIONS SIRTRIS PHARMACEUTICAS, INC. (US) 2011-01-13 US disclosed
US-20100168084-A1 Therapeutic compounds and related methods of use ELIXIR PHARMACEUTICALS, INC. 2010-07-01 US disclosed
WO-2009158646-A1 THERAPEUTIC COMPUNDS AND RELATED METHODS OF USE ELIXIR PHARMACEUTICALS, INC. (US) 2009-12-30 WO disclosed
US-20090163476-A1 N-Phenyl Benzamide Derivatives as Sirtuin Modulators SIRTRIS PHARMACEUTICALS, INC. (US) 2009-06-25 US disclosed
US-20090143376-A1 Fused Heterocyclic Compounds and Their Use as Sirtuin Modulators SITRIS PHARMACEUTICALS, INC. (US) 2009-06-04 US disclosed
US-20090099170-A1 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2009-04-16 US disclosed
US-20090069301-A1 Acridine and Quinoline Derivatives as Sirtuin Modulators SIRTRIS PHARMACEUTICALS, INC. (US) 2009-03-12 US disclosed
US-20070248590-A1 Modulators of CDC2-like kinases (CLKS) and methods of use thereof SIRTRIS PHARMACEUTICALS, INC. (US) 2007-10-25 US disclosed
US-20030162765-A1 Use in treatment and prevention of central nervous system and other disorders PFIZER INC. 2003-08-28 US disclosed
US-20010007873-A1 Compounds such as 4-(6-amino-pyridin-2-yl)-3-methoxyphenol as nitric oxide synthase inhibitors used to treat central nervous system disorders, inflammatory disorders, septic shock, etc... PFIZER INC. 2001-07-12 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 (14 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-20090143376-A1 Fused Heterocyclic Compounds and Their Use as Sirtuin Modulators SIRT1, SIRT3, SIRT2 MEN1 4100/4885LMNA 2569/4885MAPT 215/4885
US-20090099170-A1 Sirtuin modulating compounds SIRT1, SIRT3, SIRT2 MEN1 3137/4885LMNA 3414/4885MAPT 625/4885
US-20110009496-A1 RESVERATROL FORMULATIONS SIRT1, SIRT5, SIRT2 MEN1 936/4885LMNA 1138/4885MAPT 261/4885
US-20170189433-A1 NICOTINAMIDE RIBOSIDE ANALOGS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF NNT, CS, ME2 MEN1 1467/4885LMNA 515/4885MAPT 2354/4885
US-20030045449-A1 Pharmaceutical combinations for the treatment of neurodegenerative diseases GRIN3A, GRIN1, CHRNA10 MEN1 3328/4885LMNA 1289/4885MAPT 741/4885
US-20010007873-A1 Compounds such as 4-(6-amino-pyridin-2-yl)-3-methoxyphenol as nitric oxide synthase inhibitors used to treat central nervous system disorders, inflammatory disorders, septic shock, etc... NOS1, PTGS1, NOS2 MEN1 3437/4885LMNA 3347/4885MAPT 746/4885
US-20100168084-A1 Therapeutic compounds and related methods of use EP300, KAT2A, KAT6B MEN1 2682/4885LMNA 2234/4885MAPT 1946/4885
US-20150175645-A1 NICOTINAMIDE RIBOSIDE AND ANALOGUES THEREOF SIRT1, NAMPT, SIRT2 MEN1 2651/4885LMNA 2093/4885MAPT 783/4885
US-20090069301-A1 Acridine and Quinoline Derivatives as Sirtuin Modulators SIRT1, SIRT3, SIRT2 MEN1 3703/4885LMNA 3404/4885MAPT 207/4885
US-20090163476-A1 N-Phenyl Benzamide Derivatives as Sirtuin Modulators SIRT1, SIRT3, SIRT2 MEN1 4043/4885LMNA 1903/4885MAPT 847/4885
US-10485814-B2 Nicotinamide riboside analogs and pharmaceutical compositions and uses thereof NNT, CS, ME2 MEN1 1467/4885LMNA 515/4885MAPT 2354/4885
US-20120022254-A1 SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 MEN1 3137/4885LMNA 3414/4885MAPT 625/4885
US-20120197013-A1 SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 MEN1 3137/4885LMNA 3414/4885MAPT 625/4885
US-20030162765-A1 Use in treatment and prevention of central nervous system and other disorders GRIN2C, GRIN2A, CNR2 MEN1 988/4885LMNA 1201/4885MAPT 320/4885

“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.