SCHEMBL9926442

SCHEMBL9926442

COc1cc(C(=O)NNc2c3c(nc4ccccc24)CCCC3)cc(OC)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BCHE P06276 12/20 1.00
ACHE P22303 12/20 1.00
APP P05067 2/20 0.68
MAPT P10636 1/20 0.67
NPC1 O15118 1/20 0.64

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
SCHEMBL9747579 0.91 BCHE (0.83) BCHEACHEAPPMAPTNPC1
SCHEMBL10061970 0.86 ACHE (0.74) BCHEACHEAPPMAPT
SCHEMBL10062368 0.82 MAPT (0.74) BCHEACHEAPPMAPTNPC1
SCHEMBL13253522 0.76 BCHE (0.60) BCHEACHEMAPT
SCHEMBL10062380 0.75 KDM5A (0.70) BCHEACHEMAPT
SCHEMBL10061973 0.75 NQO2 (0.62) BCHEACHEMAPT
SCHEMBL10062375 0.74 BCHE (0.58) BCHEACHEMAPT
SCHEMBL10061811 0.74 MEN1 (0.69) BCHEACHEAPPMAPTNPC1
SCHEMBL7941639 0.73 ACHE (0.61) BCHEACHEAPPMAPT
SCHEMBL8476129 0.73 HTT (0.73) BCHEACHEMAPT

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304206-B2 Mass spectrometry assays for identifying compounds that activate deacetylases SIRTRIS PHARMACEUTICALS, INC. (US) 2012-11-06 US disclosed
US-8304206-B2 Mass spectrometry assays for identifying compounds that activate deacetylases SIRTRIS PHARMACEUTICALS, INC. (US) 2012-11-06 US disclosed
EP-1955077-B1 MASS SPECTROMETRY ASSAYS FOR ACETYLTRANSFERASE/DEACETYLASE ACTIVITY SIRTRIS PHARMACEUTICALS INC (US) 2012-06-13 EP disclosed
EP-1853920-B1 FLUORESCENCE POLARIZATION ASSAYS FOR ACETYLTRANSFERASE/DEACETYLASE ACTIVITY SIRTRIS PHARMACEUTICALS INC (US) 2012-02-01 EP disclosed
US-20100168084-A1 Therapeutic compounds and related methods of use ELIXIR PHARMACEUTICALS, INC. 2010-07-01 US disclosed
US-20100168084-A1 Therapeutic compounds and related methods of use ELIXIR PHARMACEUTICALS, INC. 2010-07-01 US disclosed
US-20090221020-A1 Mass Spectrometry Assays for Acetyltransferase/Deacetylase Activity SIRTRIS PHARMACEUTICALS, INC (US) 2009-09-03 US disclosed
US-20090221020-A1 Mass Spectrometry Assays for Acetyltransferase/Deacetylase Activity SIRTRIS PHARMACEUTICALS, INC (US) 2009-09-03 US disclosed
US-20090069301-A1 Acridine and Quinoline Derivatives as Sirtuin Modulators SIRTRIS PHARMACEUTICALS, INC. (US) 2009-03-12 US disclosed
US-20090069301-A1 Acridine and Quinoline Derivatives as Sirtuin Modulators SIRTRIS PHARMACEUTICALS, INC. (US) 2009-03-12 US disclosed
US-20080293081-A1 Fluorescence Polarization Assays for Acetyltransferase/Deacetylase Activity SIRTRIS PHARMACEUTICALS, INC. (US) 2008-11-27 US disclosed
US-20080293081-A1 Fluorescence Polarization Assays for Acetyltransferase/Deacetylase Activity SIRTRIS PHARMACEUTICALS, INC. (US) 2008-11-27 US disclosed
WO-2007064902-A2 MASS SPECTROMETRY ASSAYS FOR ACETYLTRANSFERASE/DEACETYLASE ACTIVITY SIRTRIS PHARMACEUTICALS, INC. (US) 2007-06-07 WO 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-20100168084-A1 Therapeutic compounds and related methods of use EP300, KAT2A, KAT6B BCHE 742/4885ACHE 1167/4885APP 3630/4885
US-20090069301-A1 Acridine and Quinoline Derivatives as Sirtuin Modulators SIRT1, SIRT3, SIRT2 BCHE 3399/4885ACHE 331/4885APP 3630/4885

“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.