SCHEMBL309810

SCHEMBL309810

COc1cc(N2CCC(CN3CCCCC3)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.70
LMNA P02545 3/20 0.70
MAPT P10636 10/20 0.60
SIRT6 Q8N6T7 1/20 0.60
HPGD P15428 2/20 0.49
KMT2A Q03164 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
HTT P42858 2/20 0.48
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.46
MAPK1 P28482 1/20 0.45
HTR6 P50406 1/20 0.44
MEN1 O00255 1/20 0.43

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
SCHEMBL519355 0.90 SIRT6 (0.72) ALDH1A1LMNAMAPTSIRT6KMT2A
SCHEMBL2206521 0.90 SIRT6 (0.67) ALDH1A1LMNAMAPTSIRT6HPGD
SCHEMBL15511183 0.89 ALDH1A1 (0.60) ALDH1A1LMNAMAPTSIRT6HTT
SCHEMBL2205195 0.84 ALDH1A1 (0.97) ALDH1A1LMNAMAPTSIRT6HPGD
SCHEMBL29800124 0.84 ALDH1A1 (0.97) ALDH1A1LMNAMAPTSIRT6HPGD
SCHEMBL29059855 0.84 ALDH1A1 (0.57) ALDH1A1LMNAMAPTSIRT6KMT2A
SCHEMBL29059682 0.84 SIRT6 (0.57) ALDH1A1LMNAMAPTSIRT6KMT2A
SCHEMBL25304393 0.84 ALDH1A1 (0.54) ALDH1A1LMNAMAPTSIRT6KMT2A
SCHEMBL12312131 0.84 ALDH1A1 (0.68) ALDH1A1LMNAMAPTSIRT6HPGD
SCHEMBL1911913 0.84 ALDH1A1 (0.68) ALDH1A1LMNAMAPTSIRT6HPGD

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 13 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-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-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
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
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 ALDH1A1 3410/4885LMNA 2828/4885MAPT 2367/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 ALDH1A1 3410/4885LMNA 2828/4885MAPT 2367/4885

“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.