SCHEMBL21896802

SCHEMBL21896802

Nc1ccn(C(=O)Oc2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 1/20 0.50
KMT2A Q03164 3/20 0.49
PKM P14618 1/20 0.49
GAA P10253 3/20 0.46
ALDH1A1 P00352 2/20 0.45
MGLL Q99685 3/20 0.44
FAAH O00519 1/20 0.44
BCL9 O00512 1/20 0.43
CTNNB1 P35222 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 2/20 0.42
HTR2A P28223 1/20 0.41
HGFAC Q04756 1/20 0.41
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PPARG P37231 1/20 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
SCHEMBL20567635 0.84 SCN4A (0.51) SCN4AKMT2APKMGAAALDH1A1
SCHEMBL24970320 0.83 HTT (0.51) SCN4AKMT2APKMGAAALDH1A1
SCHEMBL20570751 0.82 SCN4A (0.46) SCN4AKMT2APKMGAAALDH1A1
SCHEMBL29019508 0.79 GAA (0.45) SCN4AKMT2APKMGAAALDH1A1
SCHEMBL20503479 0.78 GAA (0.48) SCN4AKMT2AGAAALDH1A1MGLL
SCHEMBL22350699 0.77 GAA (0.43) SCN4AKMT2APKMGAAALDH1A1
SCHEMBL20566659 0.76 MAPT (0.43) SCN4AKMT2APKMGAAALDH1A1
SCHEMBL20503501 0.76 GAA (0.42) SCN4AKMT2AGAAALDH1A1MGLL
SCHEMBL31568215 0.76 GAA (0.50) KMT2APKMGAAALDH1A1MGLL
SCHEMBL9565186 0.73 GAA (0.47) KMT2APKMGAAALDH1A1MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11149037-B2 Pyrazole MAGL inhibitors H. LUNDBECK A/S (DK) 2021-10-19 US disclosed
US-20200087304-A1 PYRAZOLE MAGL INHIBITORS H. LUNDBECK A/S (DK) 2020-03-19 US 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 (2 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-11149037-B2 Pyrazole MAGL inhibitors MAGI3, MAG, PYM1 SCN4A 2753/4885KMT2A 4118/4885PKM 1424/4885
US-20200087304-A1 PYRAZOLE MAGL INHIBITORS MAGI3, MAG, PYM1 SCN4A 2753/4885KMT2A 4118/4885PKM 1424/4885

“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.