SCHEMBL10061487

SCHEMBL10061487

O=C(Nc1c2c(nc3ccccc13)CCCC2)c1ccncc1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.67
GAA P10253 1/20 0.67
MAPT P10636 1/20 0.66
KMT2A Q03164 1/20 0.64
ACHE P22303 8/20 0.61
HDAC6 Q9UBN7 1/20 0.61
HDAC5 Q9UQL6 1/20 0.61
BCHE P06276 3/20 0.56
RIPK1 Q13546 1/20 0.55

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
SCHEMBL8476129 0.92 HTT (0.73) HTTGAAMAPTKMT2AACHE
SCHEMBL9749208 0.87 HTT (0.64) HTTGAAMAPTKMT2AACHE
SCHEMBL9208663 0.83 HTT (0.74) HTTGAAMAPTACHEBCHE
SCHEMBL8473136 0.82 HTT (0.69) HTTGAAMAPTACHEHDAC6
SCHEMBL8472225 0.81 HTT (0.71) HTTGAAMAPTACHEBCHE
SCHEMBL9747579 0.79 BCHE (0.83) HTTGAAMAPTKMT2AACHE
SCHEMBL8474173 0.79 BCHE (0.66) HTTGAAMAPTACHEBCHE
SCHEMBL9748781 0.78 KDM4E (0.68) HTTGAAMAPTKMT2AACHE
SCHEMBL9382159 0.78 KDM4E (0.65) HTTGAAMAPTKMT2AACHE
SCHEMBL9387187 0.77 KDM4E (0.69) HTTGAAMAPTKMT2AACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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 HTT 36/4885GAA 119/4885MAPT 1946/4885
US-20090069301-A1 Acridine and Quinoline Derivatives as Sirtuin Modulators SIRT1, SIRT3, SIRT2 HTT 12/4885GAA 220/4885MAPT 207/4885

“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.