SCHEMBL309972

SCHEMBL309972

CC(C)COc1cc(N2CCC(N3CCCCC3)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.58
ALDH1A1 P00352 7/20 0.53
LMNA P02545 2/20 0.53
CYP1A2 P05177 4/20 0.47
CYP2C19 P33261 4/20 0.47
CYP2C9 P11712 3/20 0.47
HTT P42858 3/20 0.47
HPGD P15428 2/20 0.46
CYP3A4 P08684 1/20 0.46
SIRT6 Q8N6T7 1/20 0.46
L3MBTL1 Q9Y468 4/20 0.44
PLK1 P53350 2/20 0.43
L3MBTL3 Q96JM7 1/20 0.43
PTGDR Q13258 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL311491 0.85 ALDH1A1 (0.74) MAPTALDH1A1LMNACYP1A2CYP2C19
SCHEMBL520231 0.83 ALDH1A1 (0.76) MAPTALDH1A1LMNACYP1A2CYP2C19
SCHEMBL309441 0.81 L3MBTL3 (0.48) MAPTALDH1A1LMNAHTTL3MBTL1
SCHEMBL310138 0.79 HPGD (0.53) MAPTALDH1A1LMNACYP1A2CYP2C19
SCHEMBL2825492 0.79 MAPT (0.67) MAPTALDH1A1LMNASIRT6L3MBTL1
SCHEMBL3639481 0.78 MAPT (0.43) MAPTALDH1A1LMNASIRT6L3MBTL1
SCHEMBL14866270 0.77 SIRT6 (0.59) MAPTALDH1A1LMNASIRT6L3MBTL1
SCHEMBL517566 0.77 ALDH1A1 (0.61) MAPTALDH1A1LMNACYP1A2CYP2C19
SCHEMBL18393128 0.76 LMNA (0.72) MAPTALDH1A1LMNACYP1A2CYP2C19
SCHEMBL310337 0.76 MAPT (0.51) MAPTALDH1A1LMNACYP1A2CYP2C19

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 11 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
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 MAPT 2367/4885ALDH1A1 3410/4885LMNA 2828/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 MAPT 2367/4885ALDH1A1 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.