SCHEMBL3312259

SCHEMBL3312259

COc1cc(N(C)CC(=O)OC(C)(C)C)ccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 3/20 0.42
LMNA P02545 4/20 0.41
MAPT P10636 2/20 0.41
BACE1 P56817 2/20 0.39
ALDH1A1 P00352 4/20 0.39
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CHEK1 O14757 1/20 0.38
SIRT6 Q8N6T7 1/20 0.38
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL3313756 0.80 ALDH1A1 (0.40) NR1D1LMNAALDH1A1TDP1L3MBTL1
SCHEMBL27464783 0.78 NR1D1 (0.52) NR1D1LMNAMAPTALDH1A1TDP1
SCHEMBL221788 0.78 MTNR1A (0.53) LMNAMAPTALDH1A1TDP1SMN1; SMN2
SCHEMBL3719769 0.77 ALDH1A1 (0.52) LMNAMAPTBACE1ALDH1A1TDP1
SCHEMBL25695965 0.77 MAPT (0.48) NR1D1LMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL13215501 0.76 ALDH1A1 (0.56) NR1D1LMNAMAPTALDH1A1TDP1
SCHEMBL16003471 0.76 ALDH1A1 (0.45) LMNAMAPTBACE1ALDH1A1TDP1
SCHEMBL30871973 0.76 ALDH1A1 (0.45) LMNAMAPTBACE1ALDH1A1TDP1
SCHEMBL22954820 0.75 CHEK1 (0.43) LMNAMAPTBACE1ALDH1A1SMN1; SMN2
SCHEMBL30879022 0.75 LMNA (0.44) LMNAMAPTBACE1ALDH1A1TDP1

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 NR1D1 1743/4885LMNA 3341/4885MAPT 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.