SCHEMBL3273253

SCHEMBL3273253

COc1ccc2c(=O)c(Cc3cccc(C#N)c3)c([CH]C(C)C(=O)NCCCN)oc2c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.41
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
CYP19A1 P11511 2/20 0.37
MTNR1A P48039 6/20 0.36
MTNR1B P49286 6/20 0.36
KDM4E B2RXH2 2/20 0.36
MAP2K1 Q02750 1/20 0.35
PTAFR P25105 1/20 0.35
ACHE P22303 2/20 0.35
VKORC1 Q9BQB6 1/20 0.35
NQO1 P15559 1/20 0.34

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
SCHEMBL3269662 0.94 RAB9A (0.39) MAOBALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL3271211 0.92 MAOB (0.36) MAOBMTNR1AMTNR1BMAP2K1
SCHEMBL3268474 0.90 MAOB (0.35) MAOBMTNR1AMTNR1BMAP2K1
SCHEMBL3275574 0.90 KIF11 (0.43) MAOBALDH1A1LMNAMAPTMAP2K1
SCHEMBL3269900 0.87 KIF11 (0.40) ALDH1A1SMN1; SMN2MAPTMTNR1AMTNR1B
SCHEMBL3269729 0.87 KIF11 (0.40) ALDH1A1SMN1; SMN2MAPTMTNR1AMTNR1B
SCHEMBL3313490 0.86 KCNH2 (0.44) ALDH1A1LMNAHPGDSMN1; SMN2MTNR1A
SCHEMBL3269848 0.86 KIF11 (0.43) ALDH1A1LMNAMAPTCYP19A1MTNR1A
SCHEMBL3273254 0.79 MAOB (0.43) MAOBALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL3271190 0.78 KIF11 (0.53) ALDH1A1LMNAMAPTCYP19A1MTNR1A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221488-A1 Certain Compositions and Methods of Treatment CYTOKINETICS, INC. 2009-09-03 US claimed
EP-1956908-A2 CERTAIN COMPOSITIONS AND METHODS OF TREATMENT Cytokinetics, Inc. (US) 2008-08-20 EP claimed
WO-2007067752-A2 CERTAIN COMPOSITIONS AND METHODS OF TREATMENT CYTOKINETICS, INC. (US) 2007-06-14 WO claimed
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
EP-1511734-B1 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2010-06-23 EP 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-20090221488-A1 Certain Compositions and Methods of Treatment CYTOKINETICS, INC. 2009-09-03 US disclosed
US-20090005580-A1 Compounds, compositions and methods CYTOKINETICS, INC. 2009-01-01 US disclosed
EP-1956908-A2 CERTAIN COMPOSITIONS AND METHODS OF TREATMENT Cytokinetics, Inc. (US) 2008-08-20 EP disclosed
WO-2007067752-A2 CERTAIN COMPOSITIONS AND METHODS OF TREATMENT CYTOKINETICS, INC. (US) 2007-06-14 WO disclosed
EP-1511734-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2006-05-10 EP 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
EP-1511734-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2005-03-09 EP disclosed
US-20040082638-A1 Compounds, compositions and methods CYTOKINETICS, INC. 2004-04-29 US disclosed
WO-2003088903-A2 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2003-10-30 WO 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 MAOB 3665/4885ALDH1A1 2088/4885LMNA 2572/4885
US-20090221488-A1 Certain Compositions and Methods of Treatment TOP2A, TOP2B, TOP1 MAOB 3682/4885ALDH1A1 3816/4885LMNA 1960/4885
US-20040082638-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 MAOB 2109/4885ALDH1A1 2715/4885LMNA 568/4885
US-20090005580-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 MAOB 2109/4885ALDH1A1 2715/4885LMNA 568/4885
US-20120209012-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 MAOB 2109/4885ALDH1A1 2715/4885LMNA 568/4885
US-20130053436-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 MAOB 2109/4885ALDH1A1 2715/4885LMNA 568/4885
US-20100105767-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 MAOB 2109/4885ALDH1A1 2715/4885LMNA 568/4885

“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.