SCHEMBL5219115

SCHEMBL5219115

C/C=C/c1cc(C(=O)OC)cc([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GAA P10253 1/20 0.49
MEN1 O00255 9/20 0.46
KMT2A Q03164 9/20 0.46
MAPT P10636 5/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
ALOX5 P09917 1/20 0.44
CASP3 P42574 1/20 0.44

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
SCHEMBL5219109 1.00 POLB (0.49) POLBHTTSMN1; SMN2GAAMEN1
SCHEMBL5219126 1.00 POLB (0.49) POLBHTTSMN1; SMN2GAAMEN1
SCHEMBL16961951 0.85 HTT (0.51) POLBHTTSMN1; SMN2GAAMEN1
SCHEMBL6648792 0.85 HTT (0.51) POLBHTTSMN1; SMN2GAAMEN1
SCHEMBL7591738 0.85 POLB (0.46) POLBHTTSMN1; SMN2GAAMEN1
SCHEMBL7591733 0.85 POLB (0.46) POLBHTTSMN1; SMN2GAAMEN1
SCHEMBL7594755 0.84 SMN1; SMN2 (0.50) POLBHTTSMN1; SMN2GAAMEN1
SCHEMBL561284 0.82 HTT (0.64) POLBHTTSMN1; SMN2GAAMEN1
Methyl 3,5-Dinitrobenzoate SCHEMBL418416 0.82 SMN1; SMN2 (0.60) POLBHTTSMN1; SMN2GAAMEN1
SCHEMBL8888014 0.81 ALOX5 (0.49) POLBHTTSMN1; SMN2GAAMEN1

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 POLB 723/4885HTT 26/4885SMN1; 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.