SCHEMBL10192158

SCHEMBL10192158

[C-]#[N+]c1ccc2c(=O)c(Cc3ccccc3)c([C@H](NC(=O)OC(C)(C)C)C(C)C)oc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.39
KIF11 P52732 1/20 0.38
KCNH2 Q12809 1/20 0.38
PPARG P37231 2/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
MAP1LC3B Q9GZQ8 1/20 0.37
MAP1LC3A Q9H492 1/20 0.37
APP P05067 1/20 0.36
ATM Q13315 2/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35

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
SCHEMBL11920178 0.88 KIF11 (0.45) PPARAKIF11KCNH2PPARGLMNA
SCHEMBL10192157 0.87 PPARG (0.47) PPARAKIF11KCNH2PPARGLMNA
SCHEMBL10192147 0.87 KIF11 (0.50) PPARAKIF11KCNH2PPARGLMNA
SCHEMBL13309006 0.87 KIF11 (0.50) PPARAKIF11KCNH2PPARGLMNA
SCHEMBL10192174 0.86 CYP19A1 (0.45) PPARAPPARGLMNAMAPTKDM4E
SCHEMBL13309019 0.85 CTSS (0.39) PPARAKIF11KCNH2PPARGLMNA
SCHEMBL15434858 0.85 CTSS (0.39) PPARAKIF11KCNH2PPARGLMNA
SCHEMBL12735760 0.81 KIF11 (0.39) KIF11KCNH2KDM4EALDH1A1MEN1
SCHEMBL645583 0.77 KIF11 (0.47) KIF11KCNH2LMNANCOA1NCOA3
SCHEMBL13309372 0.77 KIF11 (0.41) KIF11KCNH2PPARGLMNATSHR

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
US-8633236-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2014-01-21 US disclosed
US-20130053436-A1 COMPOUNDS, COMPOSITIONS AND METHODS MCDONALD ANDREW (US) 2013-02-28 US disclosed
US-8329928-B2 Compounds, compositions and methods CYTOKINETICS, INCORPORATED (US) 2012-12-11 US disclosed
US-20120209012-A1 COMPOUNDS, COMPOSITIONS AND METHODS MCDONALD ANDREW (US) 2012-08-16 US disclosed
US-8119678-B2 Compounds, compositions and methods CYTOKINETICS, INCORPORATED (US) 2012-02-21 US disclosed
US-20110230550-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. 2011-09-22 US disclosed
US-7629477-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2009-12-08 US disclosed
US-7491746-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2009-02-17 US disclosed
US-20090005580-A1 Compounds, compositions and methods CYTOKINETICS, INC. 2009-01-01 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-20090005580-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 PPARA 1082/4885KIF11 824/4885KCNH2 2582/4885
US-20110230550-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 PPARA 1082/4885KIF11 824/4885KCNH2 2582/4885
US-20120209012-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 PPARA 1082/4885KIF11 824/4885KCNH2 2582/4885
US-20130053436-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 PPARA 1082/4885KIF11 824/4885KCNH2 2582/4885

“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.