SCHEMBL5221908

SCHEMBL5221908

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALOX15 P16050 2/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 5/20 0.42
KDM4E B2RXH2 4/20 0.42
MAPT P10636 3/20 0.42
HSD17B10 Q99714 3/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 1/20 0.42
GPR35 Q9HC97 1/20 0.41
HTT P42858 3/20 0.41
NPC1 O15118 2/20 0.41
GLA P06280 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
ATM Q13315 1/20 0.41
CFTR P13569 2/20 0.40
ABL1 P00519 1/20 0.40

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
SCHEMBL27649957 0.84 ALDH1A1 (0.47) ALDH1A1TDP1ALOX15CYP3A4GAA
SCHEMBL30353758 0.84 ALDH1A1 (0.45) ALDH1A1GAAKDM4EMAPTLMNA
SCHEMBL15081285 0.84 ALDH1A1 (0.45) ALDH1A1GAAKDM4EMAPTLMNA
SCHEMBL1945443 0.83 ALDH1A1 (0.46) ALDH1A1TDP1ALOX15CYP3A4GAA
SCHEMBL5219938 0.83 ALDH1A1 (0.46) ALDH1A1TDP1ALOX15KDM4EMAPT
SCHEMBL24723054 0.83 PDGFRB (0.45) ALDH1A1TDP1GAAKDM4EMAPT
SCHEMBL5924264 0.83 GPR35 (0.54) ALDH1A1TDP1ALOX15CYP3A4GAA
SCHEMBL29607722 0.82 ALDH1A1 (0.45) ALDH1A1ALOX15GAAKDM4EMAPT
SCHEMBL3722699 0.82 ALDH1A1 (0.45) ALDH1A1ALOX15GAAKDM4EMAPT
SCHEMBL25249572 0.82 ALDH1A1 (0.43) ALDH1A1CYP3A4GAAKDM4EMAPT

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 7 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
WO-2005113525-A1 N, N’-SUBSTITUTED-1,3-DIAMINO-2-OXOPROPANE DERIVATIVES, THEIR PHARMACEUTICAL COMPOSITIONS AND USE GLAXO GROUP LIMITED (GB) 2005-12-01 WO 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 3102/4885TDP1 382/4885ALOX15 2954/4885

“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.