SCHEMBL3353131

SCHEMBL3353131

O=C(O)NCCC(O)NCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CNR1 P21554 2/20 0.45
CNR2 P34972 1/20 0.45
CHRM2 P08172 1/20 0.44
PTPRF P10586 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN11 Q06124 1/20 0.44
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CA2 P00918 1/20 0.42
EPHX1 P07099 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL3356473 0.81 SMN1; SMN2 (0.49) MEN1KMT2ACNR1CNR2NPC1
SCHEMBL1521016 0.79 PTPRF (0.57) MEN1KMT2ACHRM2PTPRFPTPN2
SCHEMBL3357892 0.77 CASR (0.54) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3351114 0.77 KCNH2 (0.45) MEN1KMT2ACNR1HDAC3HDAC1
SCHEMBL1695076 0.76 SMN1; SMN2 (0.66) MEN1KMT2ACNR1NPC1RAB9A
SCHEMBL9682915 0.75 MEN1 (0.46) MEN1KMT2ACNR1CNR2APOBEC3A
SCHEMBL4801300 0.74 ALDH1A1 (0.60) MEN1KMT2ACNR1CYP2C9NPC1
SCHEMBL3350274 0.74 EPHX2 (0.46) CA2SMN1; SMN2
SCHEMBL18536422 0.73 L3MBTL1 (0.51) MEN1KMT2ACHRM2PTPRFPTPN2
SCHEMBL2517347 0.73 L3MBTL1 (0.51) MEN1KMT2ACHRM2PTPRFPTPN2

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 2 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-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

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-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 MEN1 2356/4885KMT2A 4650/4885CNR1 605/4885

“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.