SCHEMBL5218310

SCHEMBL5218310

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
LMNA P02545 2/20 0.48
KMT2A Q03164 9/20 0.47
MEN1 O00255 8/20 0.47
ALDH1A1 P00352 4/20 0.47
POLB P06746 2/20 0.47
RECQL P46063 1/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MITF O75030 1/20 0.46
XBP1 P17861 1/20 0.46
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 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
SCHEMBL5216830 0.96 MAPT (0.49) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL13598611 0.86 ALDH1A1 (0.52) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL5221210 0.82 MAPT (0.43) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL5217359 0.82 MAPT (0.45) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL475604 0.82 ALDH1A1 (0.53) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL1936887 0.81 MAPT (0.58) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL8374386 0.79 MEN1 (0.64) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL710603 0.78 LMNA (0.57) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL5224471 0.78 POLB (0.47) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL5176554 0.77 ALDH1A1 (0.56) MAPTLMNAKMT2AMEN1ALDH1A1

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 6 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
CN-1735592-A Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LTD (GB) 2006-02-15 CN 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 1062/4885KMT2A 300/4885

“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.