SCHEMBL645698

SCHEMBL645698

CC(C)[C@H](N)C(=O)Oc1ncc[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
CIT O14578 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PSMB5 P28074 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
FPR2 P25090 3/20 0.33
FFAR2 O15552 1/20 0.33
SLC7A5 Q01650 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ROCK2 O75116 3/20 0.31
PRKD3 O94806 1/20 0.31
MAP4K4 O95819 1/20 0.31
PRKCB P05771 1/20 0.31
PRKCA P17252 1/20 0.31

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
SCHEMBL1487897 0.83 ELANE (0.42) ALDH1A1KDM4ENPC1RAB9AFPR2
SCHEMBL3734749 0.81 ALDH1A1 (0.38) ALDH1A1KDM4ENPC1RAB9AFPR2
SCHEMBL7571795 0.78 ALDH1A1 (0.37) ALDH1A1KDM4ENPC1RAB9AKMT2A
SCHEMBL15528122 0.77 TXN (0.37) ALDH1A1KDM4ENPC1RAB9AFPR2
SCHEMBL11334976 0.74 ALDH1A1 (0.44) ALDH1A1KDM4ENPC1RAB9AFPR2
SCHEMBL8049137 0.74 TBXAS1 (0.37) ALDH1A1KDM4EFPR2SMN1; SMN2
SCHEMBL11335584 0.73 ALDH1A1 (0.34) ALDH1A1KDM4ENPC1RAB9AFPR2
SCHEMBL145933 0.73
SCHEMBL22404 0.73
SCHEMBL384128 0.73 ALDH1A1 (0.37) ALDH1A1KDM4ENPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106966988-A A kind of method of use microwave radiation synthesizing amino acid imidazole salts in aqueous 上海应用技术大学 2017-07-21 CN disclosed
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-7919524-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2011-04-05 US disclosed
US-20100105767-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. 2010-04-29 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
US-20060020008-A1 Treating cell proliferation disorder, anticancer agents CYTOKINETICS, INC. 2006-01-26 US disclosed
US-6924376-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2005-08-02 US disclosed
US-20040082638-A1 Compounds, compositions and methods CYTOKINETICS, INC. 2004-04-29 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 (7 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-20060020008-A1 Treating cell proliferation disorder, anticancer agents MKI67, PCNA, TK1 ALDH1A1 2088/4885KDM4E 2220/4885CIT 3163/4885
US-20040082638-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 ALDH1A1 2715/4885KDM4E 1983/4885CIT 2432/4885
US-20090005580-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 ALDH1A1 2715/4885KDM4E 1983/4885CIT 2432/4885
US-20110230550-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 ALDH1A1 2715/4885KDM4E 1983/4885CIT 2432/4885
US-20120209012-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 ALDH1A1 2715/4885KDM4E 1983/4885CIT 2432/4885
US-20130053436-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 ALDH1A1 2715/4885KDM4E 1983/4885CIT 2432/4885
US-20100105767-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 ALDH1A1 2715/4885KDM4E 1983/4885CIT 2432/4885

“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.