SCHEMBL245779

SCHEMBL245779

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
ALOX5 P09917 1/20 0.50
PTPRC P08575 1/20 0.44
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
HTT P42858 2/20 0.41
POLB P06746 1/20 0.41
NR3C2 P08235 1/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ADRB2 P07550 1/20 0.38
ADRB1 P08588 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
SCHEMBL245177 0.88 MAPT (0.52) MAPTSMN1; SMN2NPC1RAB9AALOX5
SCHEMBL20117837 0.86 MAPT (0.50) MAPTSMN1; SMN2NPC1RAB9AALOX5
SCHEMBL246643 0.84 SMN1; SMN2 (0.50) MAPTSMN1; SMN2NPC1RAB9AALOX5
SCHEMBL6681971 0.83 MAPT (0.56) MAPTSMN1; SMN2NPC1RAB9AALOX5
SCHEMBL243147 0.81 AAK1 (0.43) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL244443 0.80 MAPT (0.56) MAPTSMN1; SMN2NPC1RAB9AALOX5
SCHEMBL245178 0.79 SMN1; SMN2 (0.52) MAPTSMN1; SMN2NPC1RAB9AALOX5
SCHEMBL2237474 0.79 MAPT (0.52) MAPTSMN1; SMN2NPC1RAB9AALOX5
SCHEMBL245442 0.78 MAPT (0.43) MAPTSMN1; SMN2NPC1RAB9AALOX5
SCHEMBL17771216 0.78 SMN1; SMN2 (0.43) 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 5 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
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.