SCHEMBL5220767

SCHEMBL5220767

COC(=O)c1cc([N+](=O)[O-])cc(N2CCCCS2(O)O)c1OC

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
LMNA P02545 4/20 0.41
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DRD2 P14416 1/20 0.39
OPRK1 P41145 1/20 0.38
HTT P42858 2/20 0.38
SIRT6 Q8N6T7 1/20 0.37
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL5220771 0.89 ALDH1A1 (0.42) ALDH1A1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL5224459 0.87 ALDH1A1 (0.42) ALDH1A1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL5218534 0.83 ALDH1A1 (0.43) ALDH1A1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL5222780 0.82 KDM4E (0.38) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5223575 0.80 TPMT (0.43) ALDH1A1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL5222444 0.76 MEN1 (0.44) LMNAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5224447 0.76 ALDH1A1 (0.42) ALDH1A1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL5221149 0.73 KDM4E (0.46) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5220094 0.72 MAPT (0.42) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5218540 0.72 ALDH1A1 (0.43) ALDH1A1LMNAMAPTSMN1; SMN2MEN1

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 ALDH1A1 3102/4885LMNA 1062/4885MAPT 16/4885

“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.