SCHEMBL5221839

SCHEMBL5221839

COC(=O)c1cc([N+](=O)[O-])c2nn[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
KDM4E B2RXH2 1/20 0.47
VCAM1 P19320 1/20 0.45
TPMT P51580 1/20 0.42
POLB P06746 2/20 0.41
MAPK1 P28482 1/20 0.41
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 2/20 0.38
ERN1 O75460 1/20 0.38

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
SCHEMBL5222521 0.79 KDM4E (0.45) MAPTKDM4EPOLBMAPK1HPGD
SCHEMBL5217731 0.78 MAPT (0.47) MAPTKDM4EVCAM1TPMTPOLB
SCHEMBL20845717 0.77 KDM4E (0.40) KDM4ETPMTPOLBMAPK1ALDH1A1
SCHEMBL25752955 0.76 MAPT (0.45) MAPTKDM4EVCAM1TPMTPOLB
SCHEMBL5217141 0.76 NOS1 (0.48) MAPTKDM4EVCAM1POLBMAPK1
SCHEMBL1022548 0.75 GRIN2D (0.47) MAPTKDM4EPOLBHPGDALDH1A1
SCHEMBL3733557 0.73 TXNRD1 (0.46) MAPTKDM4EPOLBMAPK1HPGD
SCHEMBL5924211 0.73 ESR1 (0.57) MAPTKDM4EVCAM1TPMTPOLB
SCHEMBL989006 0.73 VCAM1 (0.56) MAPTKDM4EVCAM1TPMTPOLB
SCHEMBL3216440 0.72 CHUK (0.40) MAPTVCAM1POLBMAPK1HPGD

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 16/4885KDM4E 1129/4885VCAM1 843/4885

“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.