SCHEMBL10062380

SCHEMBL10062380

O=C(NNc1c2c(nc3ccccc13)CCCC2)c1ccccn1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.70
TDP1 Q9NUW8 1/20 0.65
ACHE P22303 10/20 0.60
BCHE P06276 9/20 0.60
HTT P42858 2/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.54
HDAC6 Q9UBN7 1/20 0.53
HDAC5 Q9UQL6 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
SCHEMBL10062372 0.83 KDM5A (1.00) KDM5ATDP1HTTGAAMAPT
SCHEMBL9926442 0.75 BCHE (1.00) ACHEBCHEMAPT
SCHEMBL9208663 0.75 HTT (0.74) ACHEBCHEHTTGAAMAPT
SCHEMBL27838000 0.74 ACHE (0.57) ACHEBCHE
SCHEMBL8476129 0.74 HTT (0.73) ACHEBCHEHTTGAAMAPT
SCHEMBL8473136 0.74 HTT (0.69) ACHEBCHEHTTGAAMAPT
SCHEMBL15946336 0.74 ACHE (0.50) TDP1ACHEBCHEHTTGAA
SCHEMBL8474173 0.73 BCHE (0.66) ACHEBCHEHTTGAAMAPT
SCHEMBL7945036 0.73 BCHE (0.65) ACHEBCHE
SCHEMBL10061487 0.73 HTT (0.67) ACHEBCHEHTTGAAMAPT

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 KDM5A 971/4885TDP1 667/4885ACHE 1167/4885
US-20090069301-A1 Acridine and Quinoline Derivatives as Sirtuin Modulators SIRT1, SIRT3, SIRT2 KDM5A 1060/4885TDP1 262/4885ACHE 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.