SCHEMBL309562

SCHEMBL309562

CCOc1cc(N2CCN(C3CCNCC3)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.66
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SIRT6 Q8N6T7 1/20 0.49
ALDH1A1 P00352 5/20 0.48
LMNA P02545 2/20 0.48
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
POLB P06746 3/20 0.46
RECQL P46063 1/20 0.46
HTR6 P50406 3/20 0.45
NPSR1 Q6W5P4 1/20 0.43
KHK P50053 2/20 0.43
MAPK1 P28482 1/20 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
SCHEMBL311747 0.88 SIRT6 (0.65) MAPTMEN1KMT2ASIRT6ALDH1A1
SCHEMBL311195 0.86 MAPT (0.79) MAPTSIRT6ALDH1A1LMNACYP1A2
SCHEMBL2825492 0.86 MAPT (0.67) MAPTMEN1KMT2ASIRT6ALDH1A1
SCHEMBL310692 0.84 MAPT (0.61) MAPTMEN1KMT2ASIRT6ALDH1A1
SCHEMBL310510 0.82 MAPT (0.62) MAPTMEN1KMT2ASIRT6ALDH1A1
SCHEMBL23260179 0.82 SIRT6 (0.56) MAPTMEN1KMT2ASIRT6ALDH1A1
SCHEMBL309770 0.81 MAPT (0.58) MAPTMEN1KMT2ASIRT6ALDH1A1
SCHEMBL10290227 0.81 KHK (0.45) MAPTMEN1KMT2AKHK
SCHEMBL3313964 0.81 MAPT (0.81) MAPTSIRT6ALDH1A1LMNAPOLB
SCHEMBL13981612 0.80 SIRT6 (0.61) MAPTMEN1KMT2ASIRT6ALDH1A1

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 MAPT 2367/4885MEN1 2992/4885KMT2A 800/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 MAPT 2367/4885MEN1 2992/4885KMT2A 800/4885

“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.