SCHEMBL309959

SCHEMBL309959

CCc1cc([N+](=O)[O-])c(OC)cc1N1CCN(CCS(C)(=O)=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
CYP2D6 P10635 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 2/20 0.44
SIRT6 Q8N6T7 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 5/20 0.40
LMNA P02545 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HTR1A P08908 1/20 0.39
TXNRD1 Q16881 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
SCHEMBL309887 0.90 MAPT (0.43) ALDH1A1GAASMN1; SMN2MAPTLMNA
SCHEMBL311018 0.88 ALDH1A1 (0.47) ALDH1A1CYP2D6L3MBTL1GAASIRT6
SCHEMBL310385 0.87 ALDH1A1 (0.44) ALDH1A1CYP2D6L3MBTL1GAASIRT6
SCHEMBL310371 0.84 SMN1; SMN2 (0.45) ALDH1A1GAASIRT6SMN1; SMN2HTT
SCHEMBL22942161 0.84 SIRT6 (0.59) ALDH1A1CYP2D6L3MBTL1GAASIRT6
SCHEMBL1725703 0.83 ALDH1A1 (0.44) ALDH1A1GAASIRT6SMN1; SMN2HTT
SCHEMBL310912 0.83 SMN1; SMN2 (0.39) ALDH1A1CYP2D6L3MBTL1GAASIRT6
SCHEMBL310588 0.83 DRD2 (0.41) ALDH1A1L3MBTL1HTTLMNAHTR1A
SCHEMBL310234 0.80 SIRT6 (0.68) ALDH1A1L3MBTL1SIRT6MAPTLMNA
SCHEMBL309838 0.80 MAPT (0.43) ALDH1A1GAASMN1; SMN2HTTMAPT

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 10 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
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-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
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 3410/4885CYP2D6 1612/4885L3MBTL1 4632/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 ALDH1A1 3410/4885CYP2D6 1612/4885L3MBTL1 4632/4885

“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.