SCHEMBL244443

SCHEMBL244443

CC(C)(C)OC(=O)NC(C)(C=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 2/20 0.56
ALOX5 P09917 1/20 0.53
PTPRC P08575 1/20 0.47
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
ALDH1A1 P00352 4/20 0.45
LMNA P02545 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
NR3C2 P08235 1/20 0.43
HTT P42858 3/20 0.42
POLB P06746 2/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
MAPK1 P28482 2/20 0.40
HSP90AA1 P07900 2/20 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
SCHEMBL6681971 0.86 MAPT (0.56) MAPTSMN1; SMN2NPC1RAB9AALOX5
SCHEMBL2237474 0.81 MAPT (0.52) MAPTSMN1; SMN2NPC1RAB9AALOX5
SCHEMBL245177 0.81 MAPT (0.52) MAPTSMN1; SMN2NPC1RAB9AALOX5
SCHEMBL20117837 0.80 MAPT (0.50) MAPTSMN1; SMN2NPC1RAB9AALOX5
SCHEMBL14876703 0.80 MAPT (0.50) MAPTSMN1; SMN2NPC1RAB9AALOX5
SCHEMBL245779 0.80 MAPT (0.50) MAPTSMN1; SMN2NPC1RAB9AALOX5
SCHEMBL6509929 0.79 KCNN4 (0.42) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL15124834 0.79 AAK1 (0.43) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL244304 0.79 AAK1 (0.43) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL245178 0.77 SMN1; SMN2 (0.52) MAPTSMN1; SMN2NPC1RAB9AALOX5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585440-A1 3-AMINO-5,6-DIHYDRO-1H-PYRAZIN-2-ONE DERIVATIVES USEFUL FOR THE TREATEMENT OF ALZHEIMER'S DISEASE AND OTHER FORMS OF DEMENTIA Janssen Pharmaceutica, N.V. (BE) 2013-05-01 EP disclosed
US-20130102618-A1 3-AMINO-5,6-DIHYDRO-1H-PYRAZIN-2-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND OTHER FORMS OF DEMENTIA JANSSEN PHARMACEUTICA NV (US) 2013-04-25 US disclosed
US-20130102618-A1 3-AMINO-5,6-DIHYDRO-1H-PYRAZIN-2-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND OTHER FORMS OF DEMENTIA JANSSEN PHARMACEUTICA NV (US) 2013-04-25 US disclosed
WO-2012000933-A1 3-AMINO-5,6-DIHYDRO-1H-PYRAZIN-2-ONE DERIVATIVES USEFUL FOR THE TREATEMENT OF ALZHEIMER'S DISEASE AND OTHER FORMS OF DEMENTIA JANSSEN PHARMACEUTICA NV (BE) 2012-01-05 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-20130102618-A1 3-AMINO-5,6-DIHYDRO-1H-PYRAZIN-2-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND OTHER FORMS OF DEMENTIA BACE2, BACE1, PSEN2 MAPT 39/4885SMN1; SMN2 269/4885NPC1 1844/4885

“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.