SCHEMBL3320231

SCHEMBL3320231

COc1cc([N+](=O)[O-])c(OC)cc1N1CCN(C(C)=O)CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.57
MAPT P10636 9/20 0.57
GPR174 Q9BXC1 2/20 0.56
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
KDM4E B2RXH2 1/20 0.50
LMNA P02545 3/20 0.48
RECQL P46063 1/20 0.48
SIRT6 Q8N6T7 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSP90AA1 P07900 1/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL3315404 0.90 MAPT (0.72) ALDH1A1MAPTGPR174MEN1KMT2A
SCHEMBL3312550 0.90 ALDH1A1 (0.55) ALDH1A1MAPTGPR174MEN1KMT2A
SCHEMBL3312015 0.87 LMNA (0.64) ALDH1A1MAPTGPR174MEN1KMT2A
SCHEMBL28423347 0.84 MAPT (0.57) ALDH1A1MAPTGPR174MEN1KMT2A
SCHEMBL22471157 0.84 MAPT (0.57) ALDH1A1MAPTGPR174MEN1KMT2A
SCHEMBL12312120 0.83 SIRT6 (0.64) ALDH1A1MAPTLMNASIRT6SMN1; SMN2
SCHEMBL17630265 0.81 LMNA (0.66) ALDH1A1MAPTKMT2AKDM4ELMNA
SCHEMBL375759 0.81 ALDH1A1 (0.71) ALDH1A1MAPTGPR174MEN1KMT2A
SCHEMBL2205083 0.81 SIRT6 (0.72) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL23154099 0.80 ALDH1A1 (0.48) ALDH1A1MAPTGPR174MEN1KMT2A

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-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 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-20100105655-A1 NOVEL COMPOUNDS 515 TYMS, ABCG2, UMPS ALDH1A1 649/4885MAPT 2130/4885GPR174 1108/4885

“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.