SCHEMBL10062368

SCHEMBL10062368

COc1cc(NC(=O)Nc2c3c(nc4ccccc24)CCCC3)cc(OC)c1OC

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.74
NPC1 O15118 1/20 0.70
BCHE P06276 6/20 0.69
ACHE P22303 6/20 0.69
APP P05067 6/20 0.68
GAA P10253 1/20 0.61
GFER P55789 1/20 0.61

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
SCHEMBL10061810 0.88 POLB (0.69) MAPTNPC1BCHEACHEAPP
SCHEMBL9747579 0.87 BCHE (0.83) MAPTNPC1BCHEACHEAPP
SCHEMBL10061811 0.84 MEN1 (0.69) MAPTNPC1BCHEACHEAPP
SCHEMBL9926442 0.82 BCHE (1.00) MAPTNPC1BCHEACHEAPP
SCHEMBL10061986 0.79 APP (0.62) MAPTNPC1BCHEACHEAPP
SCHEMBL8472225 0.76 HTT (0.71) MAPTBCHEACHEGAA
SCHEMBL9208663 0.76 HTT (0.74) MAPTBCHEACHEAPPGAA
SCHEMBL13253516 0.76 MEN1 (0.64) MAPTNPC1GAA
SCHEMBL8473136 0.75 HTT (0.69) MAPTBCHEACHEGAA
SCHEMBL6588362 0.74 IGF1R (0.71) MAPTGAA

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 MAPT 1946/4885NPC1 233/4885BCHE 742/4885
US-20090069301-A1 Acridine and Quinoline Derivatives as Sirtuin Modulators SIRT1, SIRT3, SIRT2 MAPT 207/4885NPC1 3242/4885BCHE 3399/4885

“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.