SCHEMBL5223450

SCHEMBL5223450

COC(=O)c1cc([N+](=O)[O-])cc(N2CCCC2=O)c1F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
NR1H4 Q96RI1 1/20 0.44
HTT P42858 5/20 0.43
LMNA P02545 3/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
RAB9A P51151 1/20 0.41
OPRK1 P41145 1/20 0.39
KDM4E B2RXH2 3/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 3/20 0.38
NPC1 O15118 2/20 0.38
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL5219064 0.82 HSD17B10 (0.42) ALDH1A1LMNAKMT2AMEN1RAB9A
SCHEMBL5851474 0.82 SMN1; SMN2 (0.42) ALDH1A1LMNAKMT2AMEN1RAB9A
SCHEMBL5216170 0.81 HSD17B10 (0.41) ALDH1A1LMNAKMT2AMEN1OPRK1
SCHEMBL5853141 0.79 CFTR (0.41) LMNAKDM4EMAPT
SCHEMBL5222877 0.78 HSD17B10 (0.36) ALDH1A1LMNAKMT2AMEN1RAB9A
SCHEMBL5222872 0.78 HSD17B10 (0.36) ALDH1A1LMNAKMT2AMEN1RAB9A
SCHEMBL5222867 0.78 HSD17B10 (0.36) ALDH1A1LMNAKMT2AMEN1RAB9A
SCHEMBL5216498 0.77 BACE1 (0.47) ALDH1A1LMNAGAAMAPTMAPK1
SCHEMBL5221159 0.77 LMNA (0.39) ALDH1A1LMNAGAAMAPTPOLB
SCHEMBL5218534 0.76 ALDH1A1 (0.43) ALDH1A1HTTLMNAKMT2AMEN1

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 3102/4885NR1H4 2861/4885HTT 26/4885

“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.