SCHEMBL5221790

SCHEMBL5221790

COC(=O)c1cc([N+](=O)[O-])cc(NS(=O)(=O)CCCCCl)c1F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 1/20 0.36
POLB P06746 2/20 0.34
LMNA P02545 2/20 0.34
OPRK1 P41145 1/20 0.34
BRAF P15056 1/20 0.33
AKR1B1 P15121 1/20 0.33
NPC1 O15118 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL5221621 0.97 ALDH1A1 (0.36) ALDH1A1MAPTKDM4EHPGDPOLB
SCHEMBL5219575 0.88 AKR1B1 (0.37) MAPTAKR1B1MEN1KMT2A
SCHEMBL5222223 0.84 MAPT (0.38) ALDH1A1MAPTLMNAAKR1B1NPC1
SCHEMBL5220064 0.80 ALDH1A1 (0.34) ALDH1A1MAPTKDM4EPOLBLMNA
SCHEMBL5221233 0.79 NPC1 (0.46) ALDH1A1MAPTKDM4EPOLBLMNA
SCHEMBL5218818 0.77 ALDH1A1 (0.35) ALDH1A1MAPTKDM4EPOLBLMNA
SCHEMBL3265543 0.75 CYP19A1 (0.49) ALDH1A1
SCHEMBL5224471 0.73 POLB (0.47) ALDH1A1MAPTHPGDPOLBLMNA
SCHEMBL5220170 0.73 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EHPGDPOLB
SCHEMBL5218309 0.72 VCAM1 (0.42) ALDH1A1MAPTKDM4EHPGDPOLB

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 3102/4885MAPT 16/4885KDM4E 1129/4885

“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.