SCHEMBL5219772

SCHEMBL5219772

COC(=O)c1cc(N)c(C)c(N2CCCCS2(O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 8/20 0.39
HPGD P15428 4/20 0.39
MAPT P10636 4/20 0.39
HSD17B10 Q99714 3/20 0.37
GAA P10253 2/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
GLA P06280 2/20 0.37
ATM Q13315 1/20 0.37
USP2 O75604 1/20 0.35
KMT2A Q03164 2/20 0.34
ALOX15 P16050 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 2/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL5219776 0.88 KDM4E (0.50) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL5221149 0.87 KDM4E (0.46) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL5219375 0.84 KDM4E (0.48) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL5220495 0.83 KDM4E (0.44) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL5218025 0.81 BACE1 (0.41) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL5220094 0.81 MAPT (0.42) KDM4ENPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL5219935 0.81 ALDH1A1 (0.34) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL5224649 0.78 MEN1 (0.42) KDM4ENPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL5218548 0.78 NPC1 (0.40) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL6184270 0.75 UCHL1 (0.39) KDM4ENPC1RAB9ASMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253198-B2 Hydroxyethylamine derivatives for the treatment of Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-08-07 US disclosed
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 US disclosed
EP-1567488-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
WO-2004050619-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2004-06-17 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 (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-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 KDM4E 1129/4885NPC1 1554/4885RAB9A 2403/4885

“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.