SCHEMBL10061821

SCHEMBL10061821

O=C(NNc1c2ccccc2nc2ccccc12)c1cccnc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 12/20 0.67
▸ KMT2A Q03164 11/20 0.67
▸ MEN1 O00255 9/20 0.67
▸ MAPT P10636 9/20 0.67
▸ POLB P06746 7/20 0.67
▸ KDM4E B2RXH2 7/20 0.67
▸ MAPK1 P28482 6/20 0.67
▸ LMNA P02545 5/20 0.67
▸ GFER P55789 4/20 0.67
▸ RECQL P46063 2/20 0.67
▸ ALDH1A1 P00352 2/20 0.67
▸ L3MBTL1 Q9Y468 4/20 0.66
▸ HTT P42858 2/20 0.66
▸ SMN1; SMN2 Q16637 1/20 0.66
▸ MMP14 P50281 3/20 0.63
▸ USP2 O75604 1/20 0.63
▸ MCL1 Q07820 1/20 0.63
▸ KDM5A P29375 1/20 0.59
▸ TDP1 Q9NUW8 3/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56

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
SCHEMBL10061972 0.84 GAA (0.76) GAAKMT2AMEN1MAPTPOLB
SCHEMBL11832072 0.79 PTGS2 (0.68) GAALMNAALDH1A1CYP2C19CYP3A4
SCHEMBL31006498 0.79 PTGS2 (0.68) GAALMNAALDH1A1CYP2C19CYP3A4
SCHEMBL5361922 0.78 GAA (0.77) GAAKMT2APOLBLMNAALDH1A1
SCHEMBL5361880 0.77 HDAC1 (0.74) GAAKMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL9749208 0.75 HTT (0.64) GAAKMT2AMEN1MAPTKDM4E
SCHEMBL11708176 0.75 NPC1 (0.56) GAAKMT2AMEN1KDM4ELMNA
SCHEMBL10062372 0.74 KDM5A (1.00) GAAKMT2AMEN1MAPTPOLB
SCHEMBL22341320 0.74 FTO (0.67) GAAKMT2AMEN1POLBKDM4E
SCHEMBL5359661 0.72 GAA (0.66) GAAKMT2AMAPTKDM4ELMNA

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 12 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-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 GAA 119/4885KMT2A 422/4885MEN1 2682/4885
US-20090069301-A1 Acridine and Quinoline Derivatives as Sirtuin Modulators SIRT1, SIRT3, SIRT2 GAA 220/4885KMT2A 1098/4885MEN1 3703/4885

“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.

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