SCHEMBL310959

SCHEMBL310959

CCOc1cc(N2CCC(=O)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.79
ALDH1A1 P00352 5/20 0.56
LMNA P02545 4/20 0.56
SIRT6 Q8N6T7 3/20 0.54
HTR6 P50406 1/20 0.49
HPGD P15428 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
MAPK1 P28482 1/20 0.45
POLB P06746 1/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
KMT2A Q03164 1/20 0.44
PTGDR Q13258 1/20 0.44
GAA P10253 1/20 0.44
CYP2C9 P11712 1/20 0.43

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
SCHEMBL3313964 0.86 MAPT (0.81) MAPTALDH1A1LMNASIRT6HTR6
SCHEMBL310848 0.85 LMNA (0.77) MAPTALDH1A1LMNASIRT6HTR6
SCHEMBL311195 0.85 MAPT (0.79) MAPTALDH1A1LMNASIRT6HTR6
SCHEMBL4574886 0.85 MAPT (0.79) MAPTALDH1A1LMNASIRT6HPGD
SCHEMBL309974 0.84 MAPT (0.56) MAPTALDH1A1LMNASIRT6HTR6
SCHEMBL310281 0.82 MAPT (0.75) MAPTALDH1A1LMNASIRT6HTR6
SCHEMBL311012 0.82 MAPT (0.75) MAPTALDH1A1LMNASIRT6HTR6
SCHEMBL310598 0.82 MAPT (0.75) MAPTALDH1A1LMNASIRT6HTR6
SCHEMBL13395188 0.82 ALDH1A1 (0.56) MAPTALDH1A1LMNASIRT6HTR6
SCHEMBL16753004 0.81 MAPT (0.73) MAPTALDH1A1LMNASIRT6HTR6

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130096100-A1 DI(ARYLAMINO)ARYL COMPOUND ASTELLAS PHARMA INC. (JP) 2013-04-18 US disclosed
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-8318702-B2 Di(arylamino)aryl compounds ASTELLAS PHARMA INC. (JP) 2012-11-27 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-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-20100099658-A1 DI(ARYLAMINO)ARYL COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-22 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 (4 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-20130096100-A1 DI(ARYLAMINO)ARYL COMPOUND ERBB4, EGFR, ALK MAPT 3344/4885ALDH1A1 3512/4885LMNA 2407/4885
US-20080300242-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 MAPT 2367/4885ALDH1A1 3410/4885LMNA 2828/4885
US-20100099658-A1 DI(ARYLAMINO)ARYL COMPOUND ERBB4, EGFR, ALK MAPT 3344/4885ALDH1A1 3512/4885LMNA 2407/4885
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.