SCHEMBL3314034

SCHEMBL3314034

COc1cc(N2CC3CN(CCO)CC(C2)O3)ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.55
ALDH1A1 P00352 6/20 0.54
LMNA P02545 2/20 0.54
MAPT P10636 9/20 0.47
IGF1R P08069 1/20 0.44
KCNH2 Q12809 1/20 0.44
HPGD P15428 2/20 0.43
MAPK1 P28482 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.41
HTR6 P50406 2/20 0.40
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL3315135 0.83 ALDH1A1 (0.52) SIRT6ALDH1A1LMNAMAPTMAPK1
SCHEMBL3316399 0.82 SIRT6 (0.73) SIRT6ALDH1A1LMNAMAPTHPGD
SCHEMBL3313268 0.81 IGF1R (0.47) ALDH1A1IGF1RKCNH2TDP1TP53
SCHEMBL13395332 0.78 ALDH1A1 (0.68) SIRT6ALDH1A1LMNAMAPTHPGD
SCHEMBL3310202 0.77 SIRT6 (0.61) SIRT6ALDH1A1LMNAMAPTHPGD
SCHEMBL3310207 0.77 SIRT6 (0.61) SIRT6ALDH1A1LMNAMAPTHPGD
SCHEMBL3352155 0.77 ALDH1A1 (0.43) SIRT6ALDH1A1LMNAMAPTMAPK1
SCHEMBL521267 0.76 ALDH1A1 (0.56) SIRT6ALDH1A1LMNAMAPTHPGD
SCHEMBL22954757 0.75 ALDH1A1 (0.68) SIRT6ALDH1A1LMNAMAPTHPGD
SCHEMBL13362030 0.75 IGF1R (0.42) ALDH1A1IGF1RKCNH2TDP1GAA

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 SIRT6 1324/4885ALDH1A1 649/4885LMNA 3341/4885

“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.