SCHEMBL3310207

SCHEMBL3310207

COc1cc(N2CCN(CCO)C(C)C2)ccc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 4/20 0.61
ALDH1A1 P00352 4/20 0.57
LMNA P02545 2/20 0.57
MAPT P10636 10/20 0.50
HTR6 P50406 3/20 0.45
RAB9A P51151 1/20 0.43
MAPK1 P28482 3/20 0.41
HPGD P15428 2/20 0.41
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HTR1A P08908 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 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
SCHEMBL3310202 1.00 SIRT6 (0.61) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL3349400 0.85 SIRT6 (0.58) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL15995584 0.84 SIRT6 (0.69) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL3316399 0.82 SIRT6 (0.73) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL12862128 0.82 DPP4 (0.40) SIRT6LMNAMAPTMAPK1
SCHEMBL3312558 0.81 ADORA2A (0.40) ALDH1A1
SCHEMBL3312565 0.81 ADORA2A (0.40) ALDH1A1
SCHEMBL13362115 0.81 ADORA2A (0.40) ALDH1A1
SCHEMBL3319515 0.81 SIRT6 (0.60) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL3314034 0.77 SIRT6 (0.55) SIRT6ALDH1A1LMNAMAPTHTR6

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.