SCHEMBL310523

SCHEMBL310523

COc1cc(N2CCN(S(C)(=O)=O)CC2)c(C)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
HTT P42858 3/20 0.55
ALDH1A1 P00352 7/20 0.54
LMNA P02545 5/20 0.54
MAPT P10636 4/20 0.49
CYP2C9 P11712 3/20 0.49
NPSR1 Q6W5P4 2/20 0.47
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
SIRT6 Q8N6T7 1/20 0.44
GAA P10253 1/20 0.43
POLB P06746 2/20 0.43
RECQL P46063 1/20 0.42
MEN1 O00255 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
SCHEMBL310660 0.89 KMT2A (0.45) KMT2AHTTALDH1A1LMNAMAPT
SCHEMBL22028444 0.84 SIRT6 (0.61) KMT2AHTTALDH1A1LMNAMAPT
SCHEMBL311018 0.82 ALDH1A1 (0.47) KMT2AHTTALDH1A1LMNAMAPT
SCHEMBL2206009 0.81 TDP1 (0.47) KMT2AHTTALDH1A1LMNAMAPT
SCHEMBL517482 0.81 ALDH1A1 (0.46) KMT2AHTTALDH1A1LMNAMAPT
SCHEMBL2203183 0.81 MAPT (0.50) HTTALDH1A1LMNAMAPTCYP2C19
SCHEMBL22942876 0.81 HTT (0.55) KMT2AHTTALDH1A1LMNAMAPT
SCHEMBL23154108 0.81 LMNA (0.45) KMT2AHTTALDH1A1LMNAMAPT
SCHEMBL3312550 0.80 ALDH1A1 (0.55) KMT2AHTTALDH1A1LMNAMAPT
SCHEMBL24327504 0.80 SIRT6 (0.56) KMT2AHTTALDH1A1LMNAMAPT

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 KMT2A 800/4885HTT 4090/4885ALDH1A1 3410/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 KMT2A 800/4885HTT 4090/4885ALDH1A1 3410/4885

“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.