SCHEMBL3350811

SCHEMBL3350811

O=C(O)NN1CCCCCC1=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 3/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MITF O75030 1/20 0.34
HPGD P15428 1/20 0.33
GAA P10253 3/20 0.33
TSHR P16473 1/20 0.32
BRD4 O60885 1/20 0.31
BRD2 P25440 1/20 0.31
BLM P54132 1/20 0.31
MAPK1 P28482 1/20 0.31
KDM4E B2RXH2 2/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL909148 0.98 KMT2A (0.37) KMT2AALDH1A1MAPTHSD17B10L3MBTL1
SCHEMBL10920232 0.92 LMNA (0.41) KMT2AALDH1A1L3MBTL1LMNAHTT
SCHEMBL8561276 0.84 TSHR (0.40) KMT2AALDH1A1MAPTHSD17B10L3MBTL1
SCHEMBL9034448 0.83
SCHEMBL10908440 0.78 ALDH1A1 (0.42) KMT2AALDH1A1MAPTL3MBTL1LMNA
SCHEMBL11656190 0.77 TSHR (0.38) KMT2AALDH1A1MAPTHSD17B10L3MBTL1
SCHEMBL28464884 0.77 TSHR (0.35) KMT2AALDH1A1MAPTHSD17B10L3MBTL1
SCHEMBL23077180 0.77 HDAC1 (0.40) KMT2AALDH1A1MAPTL3MBTL1LMNA
SCHEMBL1272614 0.76 ALDH1A1 (0.37) KMT2AALDH1A1MAPTHSD17B10L3MBTL1
SCHEMBL27917088 0.76 TGM2 (0.38) KMT2ALMNATSHR

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 16 patents. 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 disclosed
US-7498436-B2 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY LLC (US) 2009-03-03 US disclosed
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 disclosed
US-20070213407-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS AND PHARMACIA & UPJOHN COMPANY LLC 2007-09-13 US disclosed
US-7214715-B2 Compounds to treat Alzheimer's disease PHARMACIA & UPJOHN (US) 2007-05-08 US disclosed
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 US disclosed
US-20060106256-A1 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY 2006-05-18 US disclosed
EP-1503980-A2 SUBSTITUTED HYDROXYETHYLAMINES Elan Pharmaceuticals, Inc. (US) 2005-02-09 EP disclosed
EP-1453789-A2 N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES Elan Pharmaceuticals, Inc. (US) 2004-09-08 EP disclosed
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives PHARMACIA & UPJOHN COMPANY 2004-09-02 US disclosed
EP-1353898-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2003-10-22 EP disclosed
WO-2003072535-A2 SUBSTITUTED HYDROXYETHYLAMINES ELAN PHARMACEUTICALS, INC. (US) 2003-09-04 WO disclosed
WO-2003040096-A2 N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2003-05-15 WO disclosed
US-20020128255-A1 Compounds to treat alzheimer's disease PHARMACIA & UPJOHN COMPANY 2002-09-12 US disclosed
WO-2002002512-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO disclosed
US-5972237-A USED AS COLD BLEACH ACTIVATORS OR OPTICAL BRIGHTENERS IN DETERGENTS, CLEANERS AND BLEACHES AND IN DISINFECTANTS BASF AKTIENGESELLSCHAFT (DE) 1999-10-26 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 (5 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 KMT2A 1570/4885ALDH1A1 391/4885MAPT 6/4885
US-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT KMT2A 1579/4885ALDH1A1 524/4885MAPT 6/4885
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives BACE1, BACE2, PSEN1 KMT2A 3899/4885ALDH1A1 527/4885MAPT 675/4885
US-20060106256-A1 Substituted hydroxyethylamines HNMT, PNMT, BCHE KMT2A 110/4885ALDH1A1 589/4885MAPT 43/4885
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 KMT2A 4650/4885ALDH1A1 2133/4885MAPT 159/4885

“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.