SCHEMBL5218276

SCHEMBL5218276

CCn1cnc2c([N+](=O)[O-])cc(C(=O)OC)cc21

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
MAPT P10636 2/20 0.49
VCAM1 P19320 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAPK1 P28482 2/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
OPRK1 P41145 1/20 0.39
TPMT P51580 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
GAA P10253 1/20 0.38
ESR1 P03372 1/20 0.38
HPGD P15428 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
SCHEMBL309368 0.81 KDM4E (0.41) KDM4EMAPTKMT2AMEN1POLB
SCHEMBL5219842 0.80 KDM4E (0.40) KDM4EMAPTPOLBSMN1; SMN2ALDH1A1
SCHEMBL5223269 0.73 KDM4E (0.49) KDM4EMAPTVCAM1KMT2AMEN1
SCHEMBL5217731 0.72 MAPT (0.47) KDM4EMAPTVCAM1KMT2AMEN1
SCHEMBL5221511 0.71 ALDH1A1 (0.39) KDM4EMAPTKMT2AMEN1POLB
SCHEMBL5218022 0.71 BACE1 (0.50) MAPTPOLBSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL27199412 0.71 MAPT (0.45) KDM4EMAPTVCAM1KMT2AMEN1
SCHEMBL30498147 0.71 MAPT (0.45) KDM4EMAPTVCAM1KMT2AMEN1
SCHEMBL17263019 0.71 KDM4E (0.51) KDM4EMAPTMAPK1POLBSMN1; SMN2
SCHEMBL5216905 0.71 TPMT (0.64) KDM4EMAPTVCAM1KMT2AMEN1

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 KDM4E 1129/4885MAPT 16/4885VCAM1 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.