SCHEMBL1803249

SCHEMBL1803249

N=C(N)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 6/20 0.54
HDAC1 Q13547 2/20 0.53
SIRT2 Q8IXJ6 11/20 0.53
SIRT1 Q96EB6 10/20 0.53
SIRT3 Q9NTG7 4/20 0.52
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51

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
SCHEMBL8495706 0.97 CTSL (0.54) SIRT5HDAC1SIRT2SIRT1
SCHEMBL8495526 0.97 CTSL (0.54) SIRT5HDAC1SIRT2SIRT1
SCHEMBL9490221 0.96 SIRT5 (0.53) SIRT5HDAC1SIRT2SIRT1SIRT3
SCHEMBL8342384 0.90 HDAC1 (0.49) SIRT5HDAC1SIRT2SIRT1SIRT3
Hydrochloric Acid SCHEMBL9814916 0.89 HDAC1 (0.48) SIRT5HDAC1SIRT2SIRT1SIRT3
SCHEMBL3868955 0.88 SIRT5 (0.52) SIRT5
SCHEMBL3868962 0.88 SIRT5 (0.52) SIRT5
SCHEMBL9490193 0.87 SIRT2 (0.48) SIRT5HDAC1SIRT2SIRT1SIRT3
SCHEMBL9488093 0.86 SIRT1 (0.51) SIRT5SIRT2SIRT1SIRT3
SCHEMBL1587596 0.86 SIRT1 (0.51) SIRT5SIRT2SIRT1SIRT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130273035-A1 Methods and Compositions for Reducing Amyloid Beta Levels THE J. DAVID GLADSTONE INSTITUTES 2013-10-17 US claimed
US-9347085-B2 Methods and compositions for reducing amyloid beta levels THE J. DAVID GLADSTONE INSTITUTES (US) 2016-05-24 US disclosed
EP-2094832-B1 METHODS AND COMPOSITIONS FOR REDUCING AMYLOID BETA LEVELS DAVID GLADSTONE INST (US) 2015-04-22 EP disclosed
US-20140234302-A1 Methods and Compositions for Reducing Amyloid Beta Levels THE J. DAVID GLADSTONE INSTITUTES (US) 2014-08-21 US disclosed
US-20130273035-A1 Methods and Compositions for Reducing Amyloid Beta Levels THE J. DAVID GLADSTONE INSTITUTES 2013-10-17 US disclosed
US-8420613-B2 Methods and compositions for reducing amyloid beta levels THE J. DAVID GLADSTONE INSTITUTES (US) 2013-04-16 US disclosed
US-8388953-B2 Method of increasing cathepsin B-induced cleavage of amyloid-β peptides THE J. DAVID GLADSTONE INSTITUTES (US) 2013-03-05 US disclosed
US-20110256120-A1 Methods and Compositions for Reducing Amyloid Beta Levels THE J. DAVID GLADSTONE INSTITUTES 2011-10-20 US disclosed
US-7951367-B2 Using cathepsin variant as therapeutic tool in treatment and prevention of nervous system disorders THE J. DAVID GLADSTONE INSTITUTES (US) 2011-05-31 US disclosed
US-20100040612-A1 METHODS AND COMPOSITIONS FOR REDUCING AMYLOID BETA LEVELS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-02-18 US disclosed
US-20040247527-A1 Multifunctional photodynamic agents for treating of disease MPA TECHNOLOGIES, INC. 2004-12-09 US disclosed
US-20040146463-A1 Functional MRI agents for cancer imaging NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-07-29 US disclosed
US-6673333-B1 COMPRISING A FIRST GD(III) ION BOUND TO A FIRST CHELATOR; GD(III) ION HAS COORDINATION ATOMS IN AT LEAST 7 COORDINATION SITES; BOUND TO TUMOR ASSOCIATED ACTIVATIVLE GUARDING MOIETY RESEARCH CORPORATION TECHNOLOGIES, INC. 2004-01-06 US disclosed
US-20030021750-A1 Novel functional agents for magnetic resonance imaging METAPROBE, INC. 2003-01-30 US disclosed
EP-1278552-A2 FUNCTIONAL MRI AGENTS FOR CANCER IMAGING RESEARCH CORPORATION TECHNOLOGIES (US) 2003-01-29 EP disclosed
WO-2002080757-A2 NOVEL FUNCTIONAL AGENTS FOR MAGNETIC RESONANCE IMAGING METAPROBE, INC. (US) 2002-10-17 WO disclosed
WO-2001082976-A2 FUNCTIONAL MRI AGENTS FOR CANCER IMAGING RESEARCH CORPORATION TECHNOLOGIES (US) 2001-11-08 WO disclosed
EP-0255341-B1 REAGENT FOR TESTING PERIODONTAL DISEASES SUNSTAR KABUSHIKI KAISHA (JP) 1993-02-03 EP disclosed
US-5137811-A Method for diagnosing periodontal diseases with a substrate specific for aminopeptidase activity of periodontopathic bacteria SUNSTAR KABUSHIKI KAISHA (JP) 1992-08-11 US disclosed
EP-0255341-A2 Reagent for testing periodontal diseases SUNSTAR KABUSHIKI KAISHA (JP) 1988-02-03 EP 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 (2 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-20030021750-A1 Novel functional agents for magnetic resonance imaging FABP7, RXFP1, MRGPRX2 SIRT5 2598/4885HDAC1 4418/4885SIRT2 2784/4885
US-20040146463-A1 Functional MRI agents for cancer imaging TSG101, SMARCE1, SMARCA1 SIRT5 465/4885HDAC1 2568/4885SIRT2 1517/4885

“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.