SCHEMBL6046660

SCHEMBL6046660

CC(C)(C)OC(=O)CN(N)C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 1/20 0.51
ALDH1A1 P00352 3/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 2/20 0.44
GAA P10253 1/20 0.44
IDO1 P14902 2/20 0.43
HTT P42858 1/20 0.42
HTR2A P28223 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL6158390 0.82 ALDH1A1 (0.45) ALDH1A1MAPTL3MBTL1MAPK1
SCHEMBL6046632 0.82 RAB9A (0.50) ALDH1A1RAB9AIDO1HTTHTR2A
SCHEMBL9728624 0.80 ALDH1A1 (0.59) NR1D1ALDH1A1MAPTRAB9AGAA
SCHEMBL5724173 0.80 ALDH1A1 (0.54) NR1D1ALDH1A1MAPTRAB9AGAA
SCHEMBL19056380 0.78 ALDH1A1 (0.51) ALDH1A1MAPTRAB9AGAAIDO1
SCHEMBL6469427 0.78 HTR2A (0.51) ALDH1A1MAPTRAB9AGAAIDO1
SCHEMBL5724430 0.77 ALDH1A1 (0.48) NR1D1ALDH1A1MAPTRAB9AGAA
SCHEMBL9044759 0.77 ALDH1A1 (0.52) ALDH1A1MAPTRAB9AGAAIDO1
SCHEMBL10389171 0.77 ALDH1A1 (0.50) NR1D1ALDH1A1MAPTRAB9AGAA
SCHEMBL6943834 0.77 ALDH1A1 (0.62) NR1D1ALDH1A1MAPTRAB9AGAA

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-20060281686-A1 Aza-peptides LABORATOIRES SERONO SA (CH) 2006-12-14 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-20060281686-A1 Aza-peptides APP, APBA1, IAPP NR1D1 3769/4885ALDH1A1 4161/4885MAPT 302/4885

“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.