SCHEMBL311291

SCHEMBL311291

COCCN1CCN(c2cc(OC)c([N+](=O)[O-])cc2C)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
HTT P42858 1/20 0.49
GAA P10253 2/20 0.48
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 5/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 2/20 0.45
SIRT6 Q8N6T7 1/20 0.45
CYP2D6 P10635 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
RAB9A P51151 1/20 0.43
HTR1A P08908 1/20 0.41

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
SCHEMBL19174834 0.87 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HTTGAAKMT2A
SCHEMBL311018 0.85 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HTTGAAKMT2A
SCHEMBL22028444 0.85 SIRT6 (0.61) ALDH1A1SMN1; SMN2HTTGAAKMT2A
SCHEMBL3345168 0.83 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HTTGAAKMT2A
SCHEMBL10257276 0.83 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HTTGAAKMT2A
SCHEMBL10290231 0.82 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HTTGAAKMT2A
SCHEMBL310371 0.82 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2HTTGAAKMT2A
SCHEMBL22942270 0.81 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2HTTGAAKMT2A
SCHEMBL1725703 0.81 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2HTTGAAKMT2A
SCHEMBL24327504 0.81 SIRT6 (0.56) ALDH1A1SMN1; SMN2HTTGAAKMT2A

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 14 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-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 3410/4885SMN1; SMN2 2982/4885HTT 4090/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 ALDH1A1 3410/4885SMN1; SMN2 2982/4885HTT 4090/4885

“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.