SCHEMBL311218

SCHEMBL311218

COc1cc(C#CCN2CCN(C)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 4/20 0.57
ALDH1A1 P00352 6/20 0.47
LMNA P02545 2/20 0.47
GRM5 P41594 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
CYP2D6 P10635 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
HTR6 P50406 3/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
GFER P55789 1/20 0.41
MAPT P10636 2/20 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
SCHEMBL311004 0.89 ALDH1A1 (0.54) SIRT6ALDH1A1LMNAGRM5SMN1; SMN2
SCHEMBL4572812 0.78 SIRT6 (0.51) SIRT6ALDH1A1LMNAGRM5GAA
SCHEMBL10291110 0.78 SIRT6 (0.62) SIRT6ALDH1A1LMNASMN1; SMN2CYP2D6
SCHEMBL30019164 0.78 SIRT6 (0.62) SIRT6ALDH1A1LMNASMN1; SMN2CYP2D6
SCHEMBL16065141 0.77 ALDH1A1 (0.45) ALDH1A1LMNASMN1; SMN2KDM4ETDP1
SCHEMBL310521 0.77 ALDH1A1 (0.46) SIRT6ALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL310853 0.77 ALDH1A1 (0.46) SIRT6ALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL309827 0.77 SIRT6 (0.61) SIRT6ALDH1A1LMNASMN1; SMN2CYP2D6
SCHEMBL2205189 0.75 SIRT6 (0.58) SIRT6ALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL2209146 0.74 SIRT6 (0.57) SIRT6ALDH1A1LMNASMN1; SMN2CYP2D6

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 9 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-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 SIRT6 1497/4885ALDH1A1 3410/4885LMNA 2828/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 SIRT6 1497/4885ALDH1A1 3410/4885LMNA 2828/4885

“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.