SCHEMBL5222444

SCHEMBL5222444

COC(=O)c1cc(N2CCCCS2(O)O)cc([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
GAA P10253 2/20 0.44
POLB P06746 2/20 0.42
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
HPGD P15428 1/20 0.41
AHR P35869 1/20 0.41
RECQL P46063 1/20 0.40
CASP3 P42574 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL5222446 0.88 POLB (0.45) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL6186406 0.85 SMN1; SMN2 (0.45) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL1583549 0.82 ALDH1A1 (0.42) MEN1KMT2ASMN1; SMN2LMNAGAA
SCHEMBL5223333 0.82 CA12 (0.49) SMN1; SMN2LMNAMAPTGAAPOLB
SCHEMBL5219947 0.81 NOTUM (0.45) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL5218548 0.81 NPC1 (0.40) KMT2ASMN1; SMN2LMNAMAPTGAA
SCHEMBL15668408 0.79 ALDH1A1 (0.55) SMN1; SMN2MAPTHTTPOLBNPC1
SCHEMBL5219981 0.78 BACE1 (0.40) SMN1; SMN2LMNAPOLBNPC1
SCHEMBL5220094 0.77 MAPT (0.42) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL5219867 0.77 HTT (0.43) MEN1KMT2ASMN1; SMN2MAPTHTT

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 MEN1 586/4885KMT2A 300/4885SMN1; SMN2 478/4885

“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.