SCHEMBL3356473

SCHEMBL3356473

Cc1ccc(CNC(O)CCNC(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
KMT2A Q03164 7/20 0.47
MEN1 O00255 5/20 0.47
LMNA P02545 2/20 0.45
NPC1 O15118 4/20 0.44
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 2/20 0.44
TP53 P04637 2/20 0.44
HPGD P15428 1/20 0.44
PKM P14618 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL3357892 0.85 CASR (0.54) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL3351114 0.82 KCNH2 (0.45) KMT2AMEN1ALDH1A1CNR1
SCHEMBL3353131 0.81 MEN1 (0.47) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL3350274 0.79 EPHX2 (0.46) SMN1; SMN2
SCHEMBL5433856 0.77 GAA (0.51) KMT2AMEN1ALDH1A1HPGDTDP1
SCHEMBL3352548 0.76 ALDH1A1 (0.51) SMN1; SMN2KMT2AMEN1LMNANPC1
SCHEMBL3348575 0.76 ALDH1A1 (0.55) SMN1; SMN2KMT2AMEN1LMNARAB9A
SCHEMBL3662909 0.75 SMN1; SMN2 (0.71) SMN1; SMN2KMT2AMEN1LMNANPC1
SCHEMBL5435357 0.75 MEN1 (0.48) KMT2AMEN1ALDH1A1TDP1
SCHEMBL203279 0.74 L3MBTL1 (0.58) SMN1; SMN2KMT2AMEN1LMNANPC1

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 SMN1; SMN2 1298/4885KMT2A 4650/4885MEN1 2356/4885

“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.