SCHEMBL5221848

SCHEMBL5221848

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

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
GAA P10253 1/20 0.54
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
MAPT P10636 4/20 0.53
ALDH1A1 P00352 3/20 0.53
HPGD P15428 3/20 0.53
POLB P06746 3/20 0.51
RECQL P46063 1/20 0.49
LMNA P02545 2/20 0.48
NPC1 O15118 1/20 0.47
MAPK1 P28482 1/20 0.47
NR3C2 P08235 1/20 0.47
AHR P35869 1/20 0.46

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
SCHEMBL8137824 0.94 SMN1; SMN2 (0.52) HTTSMN1; SMN2GAAMEN1KMT2A
SCHEMBL31270988 0.90 ALOX5 (0.53) HTTSMN1; SMN2GAAMEN1KMT2A
SCHEMBL561284 0.88 HTT (0.64) HTTSMN1; SMN2GAAMEN1KMT2A
SCHEMBL5272199 0.88 SMN1; SMN2 (0.48) HTTSMN1; SMN2GAAMEN1KMT2A
SCHEMBL9049724 0.88 SMN1; SMN2 (0.48) HTTSMN1; SMN2GAAMEN1KMT2A
SCHEMBL5430331 0.85 ALOX5 (0.47) HTTSMN1; SMN2GAAMEN1KMT2A
Methyl 3,5-Dinitrobenzoate SCHEMBL418416 0.85 SMN1; SMN2 (0.60) HTTSMN1; SMN2GAAMEN1KMT2A
SCHEMBL17747120 0.85 CA1 (0.54) HTTSMN1; SMN2GAAMEN1KMT2A
SCHEMBL26641147 0.84 SMN1; SMN2 (0.45) HTTSMN1; SMN2GAAMEN1KMT2A
SCHEMBL8762477 0.83 HTT (0.59) HTTSMN1; SMN2GAAMEN1KMT2A

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-20130261130-A1 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2013-10-03 US disclosed
US-20130261130-A1 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2013-10-03 US disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20130261130-A1 NEUROTRYPSIN INHIBITORS MTPN, CHRNA7, CHRNA10 HTT 196/4885SMN1; SMN2 84/4885GAA 2573/4885
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 HTT 26/4885SMN1; SMN2 478/4885GAA 80/4885

“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.