SCHEMBL5023170

SCHEMBL5023170

CC(C(=O)O)C(=O)NCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.73
MME P08473 1/20 0.58
ALDH1A1 P00352 3/20 0.57
MEN1 O00255 2/20 0.57
MAPT P10636 1/20 0.57
SLC1A2 P43004 1/20 0.56
CYP3A4 P08684 1/20 0.56
MMP8 P22894 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA3 P07451 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA5A P35218 1/20 0.53
CA7 P43166 1/20 0.53
CACNA1C Q13936 1/20 0.53
SCN9A Q15858 1/20 0.53
CA9 Q16790 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
SCHEMBL8930750 0.87 KMT2A (0.76) KMT2AMMEALDH1A1MEN1MAPT
SCHEMBL7993179 0.86 KMT2A (0.69) KMT2AMMEALDH1A1MEN1MAPT
SCHEMBL5016485 0.86 KMT2A (0.62) KMT2AALDH1A1MEN1
SCHEMBL8760 0.85 KMT2A (0.67) KMT2AMMEALDH1A1MEN1MAPT
SCHEMBL5023255 0.84 TSHR (0.60) KMT2AALDH1A1MEN1
SCHEMBL5016313 0.84 MAPK1 (0.60) KMT2AALDH1A1MEN1L3MBTL1
SCHEMBL371105 0.84 KMT2A (0.67) KMT2AMMEALDH1A1MEN1MAPT
SCHEMBL5023071 0.84 KMT2A (0.54) KMT2AALDH1A1MEN1CYP2D6
Hydrochloric Acid SCHEMBL23235729 0.83 KMT2A (0.65) KMT2AMMEALDH1A1MEN1MAPT
SCHEMBL146434 0.83 KMT2A (0.65) KMT2AMMEALDH1A1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100480248-C Malonamide derivatives as gamma-secretase inhibitors HOFFMANN LA ROCHE (CH) 2009-04-22 CN disclosed
EP-1592684-B1 MALONAMIDE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-07-30 EP disclosed
US-7375099-B2 secretase inhibitors; therapy for Alzheimer's disease HOFFMANN-LA ROCHE INC. (US) 2008-05-20 US disclosed
CN-1745076-A Malonamide derivatives as gamma-secretase inhibitors HOFFMANN LA ROCHE (CH) 2006-03-08 CN disclosed
EP-1592684-A1 MALONAMIDE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-09 EP disclosed
US-20040220222-A1 Malonamide derivatives F. HOFFMAN-LA ROCHE AG, A SWISS COMPANY (CH) 2004-11-04 US disclosed
WO-2004069826-A1 MALONAMIDE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-19 WO disclosed
EP-0362002-A1 HIV protease inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1990-04-04 EP disclosed
CN-1040582-A New peptidase inhibitors MERRELL DOW PHARMA (US) 1990-03-21 CN disclosed
EP-0356595-A1 Novel peptidase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1990-03-07 EP disclosed
CN-88100378-A New peptidase inhibitors 1988-10-05 CN disclosed
EP-0275101-A2 Novel peptidase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1988-07-20 EP 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 (1 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-20040220222-A1 Malonamide derivatives BACE1, BACE2, APP KMT2A 1285/4885MME 7/4885ALDH1A1 887/4885

“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.