SCHEMBL5223312

SCHEMBL5223312

CC=Cc1cc(C(=O)OC)cc([N+](=O)[O-])c1OC

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.51
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
VCAM1 P19320 1/20 0.45
MAPT P10636 3/20 0.44
KDM4E B2RXH2 1/20 0.44
ERN1 O75460 2/20 0.43
POLB P06746 2/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HTT P42858 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
SCHEMBL5223306 1.00 TPMT (0.51) TPMTMEN1KMT2AVCAM1MAPT
SCHEMBL5223303 1.00 TPMT (0.51) TPMTMEN1KMT2AVCAM1MAPT
SCHEMBL5216905 0.84 TPMT (0.64) TPMTMEN1KMT2AVCAM1MAPT
SCHEMBL8462586 0.80 TPMT (0.59) TPMTMEN1KMT2AVCAM1MAPT
SCHEMBL30740961 0.80 TPMT (0.59) TPMTMEN1KMT2AVCAM1MAPT
SCHEMBL5220237 0.77 TPMT (0.56) TPMTMEN1KMT2AVCAM1MAPT
SCHEMBL5219296 0.77 KDM4E (0.44) MAPTKDM4EPOLBMAPK1SMN1; SMN2
SCHEMBL21839987 0.77 TPMT (0.56) TPMTMEN1KMT2AVCAM1MAPT
SCHEMBL5219283 0.77 KDM4E (0.44) MAPTKDM4EPOLBMAPK1SMN1; SMN2
SCHEMBL5216210 0.77 TPMT (0.56) TPMTMEN1KMT2AVCAM1MAPT

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 TPMT 602/4885MEN1 586/4885KMT2A 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.