SCHEMBL2248548

SCHEMBL2248548

CN1C(=O)CN(Cc2ccccc2)C1(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.46
ELANE P08246 4/20 0.46
CTSG P08311 2/20 0.41
ALDH1A1 P00352 1/20 0.41
THRB P10828 1/20 0.41
PRTN3 P24158 1/20 0.41
GSK3A P49840 3/20 0.40
GSK3B P49841 3/20 0.40
F2 P00734 1/20 0.40
PLG P00747 1/20 0.40
CMA1 P23946 1/20 0.40
CTRC Q99895 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40

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
Hydrochloric Acid SCHEMBL5598158 0.98 GAA (0.45) GAAELANECTSGALDH1A1THRB
SCHEMBL19031121 0.74 GAA (0.55) GAAELANEALDH1A1KMT2AMEN1
SCHEMBL26981274 0.74 ELANE (0.50) GAAELANECTSGALDH1A1THRB
SCHEMBL19031167 0.72 GAA (0.53) GAAELANEALDH1A1KMT2AMEN1
SCHEMBL21244555 0.71 GAA (0.47) GAAELANECTSGALDH1A1THRB
SCHEMBL17700194 0.70 GAA (0.53) GAAELANECTSGPRTN3F2
SCHEMBL17384429 0.70 ELANE (0.47) GAAELANECTSGALDH1A1PRTN3
SCHEMBL1189696 0.70 MEN1 (0.48) GAAELANEKMT2AMEN1L3MBTL1
SCHEMBL29156295 0.69 ELANE (0.49) GAAELANECTSGALDH1A1PRTN3
SCHEMBL24696030 0.69 GAA (0.49) GAAELANECTSGALDH1A1PRTN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003653-B2 Imidazolidinone compounds useful as β-secretase inhibitors for the treatment of Alzheimer's disease Merck. Sharp & Dohme Corp. (US) 2011-08-23 US disclosed
US-20090111832-A1 Imidazolidinone Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease MERCK SHARP & DOHME LLC 2009-04-30 US disclosed
EP-1951709-A2 IMIDAZOLIDINONE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Merck & Co., Inc. (US) 2008-08-06 EP disclosed
US-20070276142-A1 Catalytic Asymmetric Synthesis of Optically Active Alpha-Halo-Carbonyl Compounds CHEMINOVA A/S (DK) 2007-11-29 US disclosed
WO-2007058862-A2 IMIDAZOLIDINONE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2007-05-24 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-20070276142-A1 Catalytic Asymmetric Synthesis of Optically Active Alpha-Halo-Carbonyl Compounds CBR1, CBR3, HAO1 GAA 903/4885ELANE 2162/4885CTSG 1275/4885
US-20090111832-A1 Imidazolidinone Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease BACE1, BACE2, PSEN1 GAA 33/4885ELANE 520/4885CTSG 242/4885

“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.