SCHEMBL3351484

SCHEMBL3351484

CCCCCNC(=O)CC(N)=O

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.61
NAAA Q02083 1/20 0.57
EPHX1 P07099 6/20 0.56
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
FAAH O00519 2/20 0.52
DPP7 Q9UHL4 1/20 0.48
SLC6A5 Q9Y345 1/20 0.47

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
SCHEMBL9656519 0.98 CASP2 (0.64) CASP2NAAAEPHX1MEN1KMT2A
SCHEMBL8601944 0.98 CASP2 (0.64) CASP2NAAAEPHX1MEN1KMT2A
SCHEMBL8603096 0.98 CASP2 (0.64) CASP2NAAAEPHX1MEN1KMT2A
SCHEMBL7749152 0.98 CASP2 (0.64) CASP2NAAAEPHX1MEN1KMT2A
SCHEMBL8597402 0.98 CASP2 (0.64) CASP2NAAAEPHX1MEN1KMT2A
SCHEMBL7749194 0.98 CASP2 (0.64) CASP2NAAAEPHX1MEN1KMT2A
SCHEMBL11725540 0.98 CASP2 (0.64) CASP2NAAAEPHX1MEN1KMT2A
SCHEMBL5947032 0.93 CASP2 (0.52) CASP2NAAAEPHX1MEN1KMT2A
SCHEMBL28574271 0.88 CASP2 (0.58) CASP2NAAAEPHX1MEN1KMT2A
SCHEMBL4068490 0.86 CASP2 (0.71) CASP2NAAAEPHX1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108689874-A A kind of method and its application preparing 2- aryl malonamides 泸州东方农化有限公司 2018-10-23 CN disclosed
CN-103131330-B Composition for polishing and use its Ginding process FUJIMI INC. (JP) 2015-09-23 CN disclosed
CN-103131330-A Polishing composition and polishing method using the same FUJIMI INC 2013-06-05 CN disclosed
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-7662824-B2 Acylhydrazones as kinase modulators JANSSEN PHARMACEUTICA NV (BE) 2010-02-16 US disclosed
US-7638471-B2 Transparent cleansing bar comprising flipped N-acyl glutamate CONOPCO, INC., (US) 2009-12-29 US disclosed
WO-2009071299-A1 TRANSPARENT CLEANSING BAR UNILEVER PLC (GB) 2009-06-11 WO disclosed
US-20090149370-A1 Transparent Cleansing Bar CONOPCO, INC., D/B/A UNILEVER (US) 2009-06-11 US disclosed
WO-2009038031-A1 BLOCK COPOLYMER AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-03-26 WO disclosed
WO-2009038006-A1 RANDOM COPOLYMER AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-03-26 WO disclosed
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 disclosed
US-7294642-B2 1,3-Diamino-2-hydroxypropane pro-drug derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-11-13 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-20070066610-A1 Acylhydrazones as kinase modulators JANSSEN PHARMACEUTICAL, N.V. (BE) 2007-03-22 US disclosed
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 US disclosed
WO-2006101937-A1 ACYLHYDRAZONES AS KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-09-28 WO disclosed
WO-1995033813-A1 IMPROVED DETERGENT COMPOSITION UNILEVER N.V. (NL) 1995-12-14 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 (3 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-20070066610-A1 Acylhydrazones as kinase modulators MET, ERBB2, ERBB3 CASP2 1973/4885NAAA 3840/4885EPHX1 3879/4885
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 CASP2 1112/4885NAAA 484/4885EPHX1 1903/4885
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 CASP2 1503/4885NAAA 83/4885EPHX1 223/4885

“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.