SCHEMBL7067199

SCHEMBL7067199

O=C(COc1ccccc1)Nc1ncc([N+](=O)[O-])s1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 3/20 0.85
MEN1 O00255 9/20 0.78
KMT2A Q03164 9/20 0.78
RAB9A P51151 8/20 0.78
MAPT P10636 7/20 0.78
NPC1 O15118 6/20 0.78
LMNA P02545 6/20 0.78
SMN1; SMN2 Q16637 5/20 0.78
HTT P42858 4/20 0.78
NPY1R P25929 1/20 0.78
ALPI P09923 2/20 0.73
ALPG P10696 2/20 0.73
CASP6 P55212 2/20 0.73
L3MBTL1 Q9Y468 2/20 0.73
NSD2 O96028 1/20 0.73
CASP7 P55210 1/20 0.73
CASP8 Q14790 1/20 0.73
TDP1 Q9NUW8 1/20 0.73
TP53 P04637 1/20 0.65
ALDH1A1 P00352 5/20 0.63

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
SCHEMBL5546094 0.83 MAPT (0.68) ALPLMEN1KMT2ARAB9AMAPT
SCHEMBL30924972 0.82 MEN1 (0.64) ALPLMEN1KMT2ARAB9AMAPT
SCHEMBL13694246 0.82 MEN1 (0.77) ALPLMEN1KMT2ARAB9AMAPT
SCHEMBL29130866 0.81 ALPL (0.59) ALPLMEN1KMT2ARAB9AMAPT
SCHEMBL18529266 0.80 RAB9A (1.00) ALPLMEN1KMT2ARAB9AMAPT
SCHEMBL27766071 0.78 ATG4B (0.71) ALPLMEN1KMT2ARAB9AMAPT
SCHEMBL1804666 0.78 NPC1 (0.76) ALPLMEN1KMT2ARAB9AMAPT
SCHEMBL18424530 0.77 ATG4B (0.69) ALPLMEN1KMT2ARAB9AMAPT
SCHEMBL881339 0.77 LMNA (0.84) ALPLMEN1KMT2ARAB9AMAPT
SCHEMBL3466003 0.77 LMNA (0.67) ALPLMEN1KMT2ARAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030199523-A1 Heterocyclic calcium in channel blockers ZALICUS PHARMACEUTICALS LTD. (CA) 2003-10-23 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 (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-20030199523-A1 Heterocyclic calcium in channel blockers CACNA1C, CACNA1B, CACNA1D ALPL 4519/4885MEN1 1836/4885KMT2A 4239/4885

“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.