SCHEMBL2964481

SCHEMBL2964481

CCCc1c(C(N)=O)cccc1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NR1I2 O75469 1/20 0.45
CHRM2 P08172 1/20 0.45
CYP3A4 P08684 1/20 0.45
ADRA2A P08913 1/20 0.45
OPRK1 P41145 1/20 0.45
HTR2B P41595 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 3/20 0.44
HPGD P15428 2/20 0.44
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
PARP2 Q9UGN5 1/20 0.43

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
SCHEMBL5685703 0.89 ALDH1A1 (0.42) PARP1MAPTLMNAMEN1KMT2A
SCHEMBL3352032 0.89 PARP1 (0.41) PARP1MAPTLMNAMEN1KMT2A
SCHEMBL4235369 0.89 CXCR5 (0.49) PARP1MAPTLMNAMEN1KMT2A
SCHEMBL2972655 0.88 LMNA (0.50) PARP1MAPTLMNAMEN1KMT2A
Charcoal, Activated SCHEMBL9341326 0.87 PARP1 (0.40) PARP1MAPTLMNAMEN1KMT2A
SCHEMBL21439307 0.87 MAPK8 (0.44) PARP1MAPTLMNAMEN1KMT2A
SCHEMBL5483010 0.87 PARP1 (0.40) PARP1MAPTLMNAMEN1KMT2A
SCHEMBL5481197 0.87 PARP1 (0.40) PARP1MAPTLMNAMEN1KMT2A
SCHEMBL6314578 0.87 PARP1 (0.40) PARP1MAPTLMNAMEN1KMT2A
SCHEMBL28273750 0.87 ALDH1A1 (0.41) PARP1MAPTLMNAMEN1KMT2A

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080161325-A1 e.g. N1-[3-amino-4-(3,5-difluorophenyl)-2-hydroxybutyl]-3-(butylsulfonyl)-N1-(3-ethylbenzyl)-D-alaninamide dihydrochloride; inhibitors of amyloid beta-secretase enzyme; neurodegenerative diseases: Alzheimer's, Parkinson's diseases, Down's syndrome ELAN PHARMACEUTICALS, INC. 2008-07-03 US claimed
EP-1537072-A1 SUBSTITUTED AMINOETHERS FOR THE TREATMENT OF ALZHEIMER S DISEASE Pharmacia & Upjohn Company LLC (US) 2005-06-08 EP claimed
EP-1534693-A2 1, 3-DIAMINO-2-HYDROXYPROPANE PRODRUG DERIVATIVES Elan Pharmaceuticals, Inc. (US) 2005-06-01 EP claimed
EP-1453789-A2 N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES Elan Pharmaceuticals, Inc. (US) 2004-09-08 EP claimed
WO-2004024675-A1 SUBSTITUTED AMINOETHERS FOR THE TREATMENT OF ALZHEIMER'S DISEASE PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-25 WO claimed
WO-2004022523-A2 1, 3-DIAMINO-2-HYDROXYPROPANE PRODRUG DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2004-03-18 WO claimed
JP-2004502669-A 2004-01-29 JP claimed
EP-1353898-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2003-10-22 EP claimed
WO-2003040096-A2 N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2003-05-15 WO claimed
WO-2002002512-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO claimed
CN-116472292-A Modified proteins and protein degrading agents 上海睿跃生物科技有限公司 2023-07-21 CN disclosed
US-20100286145-A1 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY COMENTIS, INC. (US) 2010-11-11 US disclosed
US-7776847-B2 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-7566730-B2 Substituted aminoethers for the treatment of Alzheimer's disease ELAN PHARMACEUTICALS, INC. (US) 2009-07-28 US disclosed
US-20060106256-A1 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY 2006-05-18 US disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 US disclosed
US-6992081-B2 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS, INC. (US) 2006-01-31 US disclosed
EP-1453789-A2 N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES Elan Pharmaceuticals, Inc. (US) 2004-09-08 EP disclosed
WO-2003040096-A2 N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2003-05-15 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 (4 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-20100286145-A1 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY BACE1, BACE2, APP PARP1 2314/4885MAPT 115/4885LMNA 2556/4885
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 PARP1 538/4885MAPT 16/4885LMNA 1062/4885
US-20060106256-A1 Substituted hydroxyethylamines HNMT, PNMT, BCHE PARP1 1101/4885MAPT 43/4885LMNA 1652/4885
US-20080161325-A1 e.g. N1-[3-amino-4-(3,5-difluorophenyl)-2-hydroxybutyl]-3-(butylsulfonyl)-N1-(3-ethylbenzyl)-D-alaninamide dihydrochloride; inhibitors of amyloid beta-secretase enzyme; neurodegenerative diseases: Alzheimer's, Parkinson's diseases, Down's syndrome BACE1, APP, BACE2 PARP1 1394/4885MAPT 246/4885LMNA 133/4885

“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.