SCHEMBL6046632

SCHEMBL6046632

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

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.50
IDO1 P14902 2/20 0.50
KCNH2 Q12809 1/20 0.47
ALDH1A1 P00352 1/20 0.46
AKR1C3 P42330 1/20 0.46
NPC1 O15118 1/20 0.45
HTT P42858 1/20 0.44
HTR2A P28223 1/20 0.44
MAOB P27338 1/20 0.43

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
SCHEMBL6046672 0.84 RAB9A (0.54) RAB9AIDO1ALDH1A1NPC1
SCHEMBL19358158 0.83 ALDH1A1 (0.52) RAB9AIDO1KCNH2ALDH1A1AKR1C3
SCHEMBL6046660 0.82 NR1D1 (0.51) RAB9AIDO1ALDH1A1HTTHTR2A
SCHEMBL6469427 0.81 HTR2A (0.51) RAB9AIDO1ALDH1A1AKR1C3HTT
SCHEMBL8510873 0.80 RAB9A (0.50) RAB9AIDO1KCNH2ALDH1A1AKR1C3
SCHEMBL11595128 0.79 RAB9A (0.46) RAB9AIDO1ALDH1A1AKR1C3NPC1
SCHEMBL3161651 0.78 PYCR1 (0.47) RAB9AIDO1KCNH2ALDH1A1AKR1C3
SCHEMBL8510870 0.77 ALDH1A1 (0.49) RAB9AALDH1A1NPC1
SCHEMBL37665 0.77 AKR1C3 (0.62) RAB9AIDO1ALDH1A1AKR1C3NPC1
SCHEMBL9344808 0.77 CA1 (0.64) RAB9AKCNH2ALDH1A1

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 RAB9A 3494/4885IDO1 3262/4885KCNH2 2891/4885

“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.