SCHEMBL3352707

SCHEMBL3352707

CCCc1c(C(N)=O)cc(C(N)=O)c(CCC)c1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
HSD17B10 Q99714 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
LDHA P00338 2/20 0.37
LDHB P07195 2/20 0.37
CYP1A2 P05177 1/20 0.35
MAPT P10636 5/20 0.34
HPGD P15428 5/20 0.34
USP2 O75604 3/20 0.34
ALOX15 P16050 3/20 0.34
KDM4E B2RXH2 3/20 0.34
SIRT1 Q96EB6 1/20 0.34
MAPK1 P28482 1/20 0.34
GFER P55789 1/20 0.34
NR1I2 O75469 1/20 0.33
LMNA P02545 1/20 0.33
CHRM2 P08172 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADRA2A P08913 1/20 0.33

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
SCHEMBL28068800 0.83 POLB (0.39) ALDH1A1HSD17B10MEN1KMT2ALDHA
SCHEMBL6886631 0.82 ALDH1A1 (0.37) ALDH1A1HSD17B10MEN1KMT2ALDHA
SCHEMBL7055568 0.81 BCAT2 (0.46) POLB
SCHEMBL6894252 0.81 MEN1 (0.33) ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL3355465 0.80 KDM4E (0.39) ALDH1A1HSD17B10MEN1KMT2AMAPT
SCHEMBL2206844 0.78 PRKCI (0.40) ALDH1A1HSD17B10MEN1KMT2AMAPT
SCHEMBL6887557 0.78 ALDH1A1 (0.36) ALDH1A1HSD17B10MEN1KMT2ACYP1A2
SCHEMBL6889935 0.77 BTK (0.41) ALDH1A1HSD17B10MEN1KMT2AMAPT
SCHEMBL28273750 0.77 ALDH1A1 (0.41) ALDH1A1HSD17B10MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL3355963 0.77 PRKCI (0.39) ALDH1A1HSD17B10MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 US claimed
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
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2007-09-13 US claimed
US-6906104-B2 Aminediols for the treatment of Alzheimer's disease PHARMACIA & UPJOHN COMPANY (US) 2005-06-14 US 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
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives PHARMACIA & UPJOHN COMPANY 2004-09-02 US claimed
EP-1430032-A2 SUBSTITUTED AMIDES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Elan Pharmaceuticals, Inc. (US) 2004-06-23 EP claimed
EP-1406617-A1 DIAMINEDIOLS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-04-14 EP claimed
EP-1404664-A1 AMINEDIOLS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-04-07 EP claimed
EP-1395251-A2 AMINEDIOLS AS AGENTS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-10 EP 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-2003027068-A2 SUBSTITUTED AMINES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS ELAN PHARMACEUTICALS, INC. (US) 2003-04-03 WO claimed
WO-2003006013-A1 DIAMINEDIOLS FOR THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-01-23 WO claimed
WO-2003006453-A1 AMINEDIOLS FOR THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-01-23 WO claimed
WO-2002100818-A2 AMINEDIOLS AS AGENTS FOR THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO claimed
US-20020128255-A1 Compounds to treat alzheimer's disease PHARMACIA & UPJOHN COMPANY 2002-09-12 US claimed
WO-2002002512-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO claimed

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-20020128255-A1 Compounds to treat alzheimer's disease PSEN2, PSEN1, APP ALDH1A1 391/4885HSD17B10 683/4885MEN1 1558/4885
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives BACE1, BACE2, PSEN1 ALDH1A1 527/4885HSD17B10 362/4885MEN1 2250/4885
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease BACE1, BACE2, APP ALDH1A1 2133/4885HSD17B10 726/4885MEN1 2356/4885
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 ALDH1A1 2178/4885HSD17B10 2072/4885MEN1 1613/4885

“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.