SCHEMBL309770

SCHEMBL309770

CCOc1cc(N2CCN(C3CCN(CCS(C)(=O)=O)CC3)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.58
SIRT6 Q8N6T7 3/20 0.46
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
LMNA P02545 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HTR6 P50406 1/20 0.42
PTGDR Q13258 1/20 0.41
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 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
SCHEMBL310339 0.91 SIRT6 (0.58) MAPTSIRT6KMT2AMEN1LMNA
SCHEMBL311242 0.90 MAPT (0.67) MAPTSIRT6KMT2AMEN1LMNA
SCHEMBL310692 0.88 MAPT (0.61) MAPTSIRT6KMT2AMEN1LMNA
SCHEMBL309645 0.87 SIRT6 (0.55) MAPTSIRT6KMT2AMEN1LMNA
SCHEMBL310840 0.85 ALDH1A1 (0.42) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL310510 0.85 MAPT (0.62) MAPTSIRT6KMT2AMEN1LMNA
SCHEMBL14406611 0.85 SIRT6 (0.57) MAPTSIRT6KMT2AMEN1LMNA
SCHEMBL2825492 0.84 MAPT (0.67) MAPTSIRT6KMT2AMEN1LMNA
SCHEMBL10291107 0.83 MAPT (0.55) MAPTSIRT6KMT2AMEN1LMNA
SCHEMBL10257191 0.83 MAPT (0.55) MAPTSIRT6KMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2162454-B1 IMIDAZOPYRIDINE KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-01-02 EP 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
EP-2162454-A1 IMIDAZOPYRIDINE KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-03-17 EP disclosed
WO-2008150799-A1 IMIDAZOPYRIDINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO 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 MAPT 2367/4885SIRT6 1497/4885KMT2A 800/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 MAPT 2367/4885SIRT6 1497/4885KMT2A 800/4885

“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.