SCHEMBL6136487

SCHEMBL6136487

CCC(C(=O)O)N(C(C)=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
CRHBP P24387 1/20 0.45
ATM Q13315 1/20 0.45
CRHR2 Q13324 1/20 0.45
TLR9 Q9NR96 1/20 0.45
MAPK1 P28482 2/20 0.42
MAPT P10636 4/20 0.42
HTT P42858 2/20 0.42
TP53 P04637 2/20 0.42
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
PHLPP2 Q6ZVD8 1/20 0.41
CES2 O00748 1/20 0.41

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
SCHEMBL6136665 0.84 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL3143143 0.82 HSPB1 (0.50) ALDH1A1KMT2AMEN1L3MBTL1MAPK1
SCHEMBL3143128 0.82 HSPB1 (0.50) ALDH1A1KMT2AMEN1L3MBTL1MAPK1
SCHEMBL7403526 0.82 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1L3MBTL1CRHBP
SCHEMBL7570466 0.81 MAPT (0.45) ALDH1A1KMT2AMEN1L3MBTL1CRHBP
SCHEMBL7782935 0.81 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1L3MBTL1CRHBP
SCHEMBL3143496 0.80 ESR1 (0.39) ALDH1A1MAPTLMNATDP1CYP1A2
SCHEMBL6136294 0.80 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1L3MBTL1CRHBP
SCHEMBL6136653 0.79 S100A4 (0.37) ALDH1A1KMT2AMAPK1TP53TDP1
SCHEMBL6136368 0.79 HTT (0.41) ALDH1A1HTTTP53LMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0951464-B1 N-(ARYL/HETEROARYLACETYL) AMINO ACID ESTERS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS ELAN PHARM INC (US) 2005-05-11 EP claimed
US-6861558-B2 Methods and compounds for inhibiting β-amyloid peptide release and/or its synthesis ELAN PHARMACEUTICALS, INC. (US) 2005-03-01 US disclosed
US-20040058900-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds WU JING (US) 2004-03-25 US disclosed
US-20040043977-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds WU JING (US) 2004-03-04 US disclosed
US-6683075-B1 FUSED NITROGENHETEROCYCLIC AMIDES; ALZHEIMER'S DISEASE ATHENA NEUROSCIENCES, INC. 2004-01-27 US disclosed
US-6667305-B1 Alzheimer's disease; beta-amyloid peptide is a small fragment of the amyloid precursor protein ATHENA NEUROSCIENCES, INC. 2003-12-23 US disclosed
US-6653303-B1 Fused nitroheterocycle with amino and amido functionality; inhibiting beta-amyloid peptide release and/or synthesis; Alzheimer's disease ATHENA NEUROSCIENCES, INC. 2003-11-25 US disclosed
US-6635632-B1 Alzheimer's disease ATHENA NEUROSCIENCES, INC. 2003-10-21 US disclosed
US-6559141-B2 Inhibit beta-amyloid peptide release and/or synthesis, use in treating Alzheimer's disease; for example, 5-(N'-(phenylacetyl)-L-alpha-(2-thienyl)glycinyl)-amino-7-methyl-5,7-dihydro-6H-dibenz(b, d)azepin-6-one ATHENA NEUROSCIENCES, INC. 2003-05-06 US disclosed
US-6506782-B1 Compounds which inhibit beta -amyloid peptide release and/or its synthesis, and, accordingly, have utility in treating Alzheimer's disease. Also disclosed are pharmaceutical compositions comprising a compound which inhibits beta ATHENA NEUROSCIENCES, INC. 2003-01-14 US disclosed
US-6476263-B1 Compounds for inhibiting β-amyloid peptide release and/or its synthesis ELAN PHARMACEUTICALS, INC. 2002-11-05 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-20040043977-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds BACE1, APP, BACE2 ALDH1A1 3990/4885KMT2A 4751/4885MEN1 953/4885
US-20040058900-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds BACE1, APP, BACE2 ALDH1A1 3990/4885KMT2A 4751/4885MEN1 953/4885

“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.