SCHEMBL10258010

SCHEMBL10258010

COc1cc(-c2cc[n+](CC(C)C)cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 14/20 0.46
SIRT6 Q8N6T7 1/20 0.43
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
LMNA P02545 1/20 0.42

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
Iodide SCHEMBL310926 0.99 CHEK1 (0.46) CHEK1SIRT6ALDH1A1TDP1LMNA
Iodide SCHEMBL310215 0.86 CHEK1 (0.43) CHEK1ALDH1A1TDP1LMNA
SCHEMBL10266656 0.85 CHEK1 (0.47) CHEK1SIRT6ALDH1A1TDP1LMNA
SCHEMBL10266708 0.84 CHEK1 (0.46) CHEK1SIRT6ALDH1A1TDP1LMNA
Iodide SCHEMBL309744 0.84 CHEK1 (0.47) CHEK1SIRT6ALDH1A1TDP1LMNA
Bromide SCHEMBL310568 0.83 CHEK1 (0.46) CHEK1SIRT6ALDH1A1TDP1LMNA
SCHEMBL12429008 0.82 CHEK1 (0.45) CHEK1SIRT6ALDH1A1TDP1LMNA
SCHEMBL25313062 0.82 CHEK1 (0.51) CHEK1SIRT6ALDH1A1TDP1LMNA
SCHEMBL11224598 0.81 CHEK1 (0.61) CHEK1SIRT6ALDH1A1TDP1LMNA
Bromide SCHEMBL2203274 0.81 CHEK1 (0.44) CHEK1SIRT6ALDH1A1TDP1LMNA

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 3 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-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

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 CHEK1 240/4885SIRT6 1497/4885ALDH1A1 3410/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 CHEK1 240/4885SIRT6 1497/4885ALDH1A1 3410/4885

“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.