SCHEMBL5221210

SCHEMBL5221210

[2H]c1c(NC(=O)CCCCCl)c([2H])c([N+](=O)[O-])c([2H])c1C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 10/20 0.42
KMT2A Q03164 10/20 0.42
ALDH1A1 P00352 3/20 0.42
POLB P06746 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 1/20 0.39
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL5217359 0.88 MAPT (0.45) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL5218310 0.82 MAPT (0.48) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL5216830 0.79 MAPT (0.49) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL16322249 0.74 MEN1 (0.61) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL13598611 0.74 ALDH1A1 (0.52) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL5242327 0.70 MEN1 (0.59) MAPTLMNAMEN1KMT2AL3MBTL1
SCHEMBL475604 0.70 ALDH1A1 (0.53) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL4746770 0.70 MEN1 (0.63) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL1936887 0.70 MAPT (0.58) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL267897 0.68 KMT2A (0.54) MAPTLMNAMEN1KMT2AALDH1A1

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 MAPT 16/4885LMNA 1062/4885MEN1 586/4885

“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.