SCHEMBL5465296

SCHEMBL5465296

O=C(OCc1ccccc1)N1C[C@H](COCc2ccccc2)[C@@H](O)[C@H](OCc2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PIK3CD O00329 1/20 0.41
HCRTR2 O43614 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
HTR2C P28335 1/20 0.40
F13A1 P00488 1/20 0.39
TGM2 P21980 1/20 0.39
TGM1 P22735 1/20 0.39
KLK7 P49862 1/20 0.39
KLK5 Q9Y337 1/20 0.39
GRIN2B Q13224 2/20 0.39
AGTR2 P50052 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL441959 0.89 BCHE (0.42) BCHEACHEAGTR2
SCHEMBL5447024 0.88 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL28760418 0.82 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL28760417 0.81 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL439892 0.81 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL1776891 0.80 KLK7 (0.44) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL1775754 0.80 KLK7 (0.44) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL4736586 0.78 BACE1 (0.45) SMN1; SMN2KLK7KLK5
SCHEMBL1573273 0.78 BACE1 (0.45) SMN1; SMN2KLK7KLK5
SCHEMBL13090653 0.78 GBA1 (0.49) NPC1RAB9ABCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070270354-A1 Azasugar derivatives, heparanase inhibitors, method for preparing same, compositions containing same, use thereof SANOFI-AVENTIS (FR) 2007-11-22 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-20070270354-A1 Azasugar derivatives, heparanase inhibitors, method for preparing same, compositions containing same, use thereof HPSE, HAAO, HEXD SMN1; SMN2 4081/4885NPC1 3205/4885RAB9A 2582/4885

“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.