SCHEMBL1874308

SCHEMBL1874308

O=C(O)C1CCCc2c1n(Cc1ccccc1)c1ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.62
PTGDR Q13258 1/20 0.62
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 1/20 0.52
GLA P06280 1/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
KMT2A Q03164 1/20 0.52
HSD17B10 Q99714 1/20 0.52
FABP4 P15090 4/20 0.50
HDAC6 Q9UBN7 4/20 0.50
FABP3 P05413 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC2 Q92769 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HTR6 P50406 1/20 0.48
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL16266063 0.90 TBXA2R (0.60) TBXA2RPTGDRCA1CA2KDM4E
SCHEMBL11828582 0.81 HTR6 (0.60) CA1CA2FABP4HDAC6FABP3
SCHEMBL5944434 0.80 TBXA2R (0.57) TBXA2RPTGDRCA1CA2KDM4E
SCHEMBL9518655 0.80 TBXA2R (0.57) TBXA2RPTGDRCA1CA2KDM4E
SCHEMBL9521476 0.77 TBXA2R (1.00) TBXA2RPTGDR
SCHEMBL8381134 0.77 HDAC6 (0.50) TBXA2RPTGDRCA1CA2KDM4E
SCHEMBL11822804 0.76 TBXA2R (0.63) TBXA2RPTGDRCA1CA2HTR6
SCHEMBL11822791 0.76 TBXA2R (0.60) TBXA2RPTGDRCA1CA2MEN1
Acetic Acid SCHEMBL9518648 0.75 CA1 (0.78) CA1CA2KDM4EMEN1GLA
SCHEMBL29966259 0.74 HTR6 (0.58) CA1CA2HTR6

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 20 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
EP-0239306-B1 TETRAHYDROCARBAZOLE ESTERS MERCK FROSST CANADA INC. (CA) 1993-06-02 EP disclosed
EP-0234708-B1 TETRAHYDROCARBAZOLE 1-ALKANOIC ACIDS MERCK FROSST CANADA INC. (CA) 1991-02-27 EP disclosed
US-4940719-A Tetrahydrocarbazole esters, pharmaceutical compositions and use MERCK FROSST CANADA, INC. (CA) 1990-07-10 US disclosed
US-4906654-A Cyclohept[b]indoleakanoic acids, pharmaceutical compositions and use MERCK FROSST CANADA, INC. (CA) 1990-03-06 US disclosed
EP-0310179-A2 Tetrahydrocarbazole esters MERCK FROSST CANADA INC. (CA) 1989-04-05 EP disclosed
US-4808608-A ANTIALLERGENS, HYPOTENSIVE AGENT, ANTICOAGULANT MERCK & CO., INC. (US) 1989-02-28 US disclosed
EP-0304156-A1 Cyclohept b indolealkanoic acids MERCK FROSST CANADA INC. (CA) 1989-02-22 EP disclosed
EP-0300676-A2 Tetrahydrocarbazole 1-alkanoic acids MERCK FROSST CANADA INC. (CA) 1989-01-25 EP disclosed
US-4775680-A PROSTAGLANDIN ANTAGONISTS MERCK & CO., INC. (US) 1988-10-04 US disclosed
EP-0239306-A2 Tetrahydrocarbazole esters MERCK FROSST CANADA INC. (CA) 1987-09-30 EP disclosed
EP-0234708-A1 Tetrahydrocarbazole 1-alkanoic acids MERCK FROSST CANADA INC. (CA) 1987-09-02 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 (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 TBXA2R 3930/4885PTGDR 4189/4885CA1 4771/4885
US-20080214800-A1 Deacetylase which uses NAD as a cofactor; treating sirtuin related disorders SIRT3, SIRT1, SIRT2 TBXA2R 2805/4885PTGDR 3358/4885CA1 4610/4885
US-20100210692-A1 METHODS OF TREATMENT USING SIRT MODULATORS AND COMPOSITIONS CONTAINING SIRT1 MODULATORS SIRT1, SIRT2, SIRT3 TBXA2R 2901/4885PTGDR 4127/4885CA1 4090/4885
US-20090022694-A1 SIRT1 INHIBITION SIRT1, SIRT2, SIRT3 TBXA2R 1932/4885PTGDR 3815/4885CA1 2046/4885
US-20110104177-A1 HISTONE DEACETYLASE INHIBITORS, COMBINATION THERAPIES AND METHODS OF USE HDAC1, HDAC5, HDAC4 TBXA2R 4625/4885PTGDR 4325/4885CA1 2399/4885
US-20140163029-A1 SirT INHIBITORS THAT BIND TO NAD SIRT1, SIRT3, SIRT2 TBXA2R 3930/4885PTGDR 4189/4885CA1 4771/4885
US-20050209300-A1 Methods of treating a disorder CPT1B, CYP27A1, CLN6 TBXA2R 2830/4885PTGDR 2085/4885CA1 2767/4885
US-20090306168-A1 SirT Inhibitors That Bind to NAD SIRT1, SIRT3, SIRT2 TBXA2R 3930/4885PTGDR 4189/4885CA1 4771/4885
US-20050256181-A1 Treating a viral disorder HAVCR2, EIF2AK2, RPL35 TBXA2R 2600/4885PTGDR 2538/4885CA1 3774/4885

“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.