SCHEMBL3315577

SCHEMBL3315577

COc1ccc(N2CC3CN(C(C)=O)CC(C2)O3)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.51
KMT2A Q03164 4/20 0.51
MAPT P10636 4/20 0.51
MEN1 O00255 2/20 0.51
LMNA P02545 2/20 0.44
SIRT6 Q8N6T7 1/20 0.43
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 2/20 0.41
NPC1 O15118 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
SCHEMBL3314122 0.81 L3MBTL1 (0.40) ALDH1A1LMNA
SCHEMBL375759 0.81 ALDH1A1 (0.71) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL3352155 0.81 ALDH1A1 (0.43) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL3314196 0.79 GAK (0.39) ALDH1A1
SCHEMBL18763996 0.78 ALDH1A1 (0.60) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL17197310 0.78 ALDH1A1 (0.60) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL30900295 0.75 SIRT6 (0.55) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL4802163 0.75 GHSR (0.52) ALDH1A1KMT2AMAPTLMNASIRT6
SCHEMBL4802144 0.75 GHSR (0.52) ALDH1A1KMT2AMAPTLMNASIRT6
SCHEMBL3314034 0.74 SIRT6 (0.55) ALDH1A1MAPTLMNASIRT6MAPK1

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
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO disclosed
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 649/4885KMT2A 3784/4885MAPT 2130/4885

“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.