SCHEMBL10061810

SCHEMBL10061810

COc1cc(NC(=O)Nc2c3c(nc4ccccc24)CCCC3)cc(OC)c1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.69
APP P05067 4/20 0.67
ACHE P22303 4/20 0.61
BCHE P06276 3/20 0.57
GAA P10253 3/20 0.57
HTT P42858 3/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
MAPT P10636 3/20 0.56
TP53 P04637 2/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
PPARG P37231 1/20 0.56
NCOA2 Q15596 1/20 0.56
GFER P55789 2/20 0.55
NPC1 O15118 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL10062368 0.88 MAPT (0.74) APPACHEBCHEGAAMAPT
SCHEMBL10061811 0.84 MEN1 (0.69) APPACHEBCHEGAAHTT
SCHEMBL10061986 0.81 APP (0.62) APPACHEBCHEGAAHTT
SCHEMBL8472225 0.78 HTT (0.71) ACHEBCHEGAAHTTMAPT
SCHEMBL9208663 0.78 HTT (0.74) APPACHEBCHEGAAHTT
SCHEMBL13253516 0.77 MEN1 (0.64) POLBGAAHTTMEN1KMT2A
SCHEMBL8473136 0.76 HTT (0.69) ACHEBCHEGAAHTTMAPT
SCHEMBL9747579 0.76 BCHE (0.83) APPACHEBCHEGAAHTT
SCHEMBL9748781 0.75 KDM4E (0.68) APPACHEBCHEGAAHTT
SCHEMBL8476129 0.74 HTT (0.73) ACHEBCHEGAAHTTKMT2A

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 POLB 201/4885APP 3630/4885ACHE 1167/4885
US-20090069301-A1 Acridine and Quinoline Derivatives as Sirtuin Modulators SIRT1, SIRT3, SIRT2 POLB 1158/4885APP 3630/4885ACHE 331/4885

“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.