SCHEMBL310527

SCHEMBL310527

COc1cc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C2)ccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 15/20 0.58
NR1H2 P55055 15/20 0.58
SIRT6 Q8N6T7 1/20 0.52
ALDH1A1 P00352 2/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.46

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
SCHEMBL3506011 0.87 SIRT6 (0.57) NR1H3NR1H2SIRT6ALDH1A1LMNA
SCHEMBL3506016 0.87 SIRT6 (0.57) NR1H3NR1H2SIRT6ALDH1A1LMNA
SCHEMBL4573483 0.87 NR1H3 (0.66) NR1H3NR1H2
SCHEMBL4573487 0.87 NR1H3 (0.66) NR1H3NR1H2
SCHEMBL310369 0.81 MAPT (0.65) SIRT6ALDH1A1LMNAMAPT
SCHEMBL29802982 0.81 MAPT (0.65) SIRT6ALDH1A1LMNAMAPT
SCHEMBL25370804 0.79 SIRT6 (0.56) SIRT6ALDH1A1LMNAMAPT
SCHEMBL13163392 0.78 NR1H3 (0.54) NR1H3NR1H2
SCHEMBL3503419 0.77 SIRT6 (0.57) SIRT6ALDH1A1LMNAMAPT
SCHEMBL28795348 0.77 ALDH1A1 (0.53) SIRT6ALDH1A1LMNAMAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093239-B2 Imidazopyridine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2012-01-10 US disclosed
US-8093239-B2 Imidazopyridine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2012-01-10 US disclosed
US-8093239-B2 Imidazopyridine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2012-01-10 US disclosed
US-20100216779-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2010-08-26 US disclosed
US-20100216779-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2010-08-26 US disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 US disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 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 (2 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-20080300242-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 NR1H3 4331/4885NR1H2 4382/4885SIRT6 1497/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 NR1H3 4331/4885NR1H2 4382/4885SIRT6 1497/4885

“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.