SCHEMBL402901

SCHEMBL402901

CC(C)(C)OC(=O)N1CCN(CCc2cccc([N+](=O)[O-])c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.58
ALDH1A1 P00352 6/20 0.54
LMNA P02545 2/20 0.54
MAPT P10636 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.51
MET P08581 1/20 0.49
KCNJ1 P48048 4/20 0.48
KCNH2 Q12809 4/20 0.48
KDM4E B2RXH2 3/20 0.46
POLB P06746 2/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
ACKR3 P25106 1/20 0.46

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
SCHEMBL30024568 0.89 ALDH1A1 (0.64) ALDH1A1LMNAMAPTL3MBTL1KDM4E
SCHEMBL5387829 0.89 ALDH1A1 (0.64) ALDH1A1LMNAMAPTL3MBTL1KDM4E
SCHEMBL17153223 0.87 SIGMAR1 (0.58) SIGMAR1ALDH1A1LMNAMAPTL3MBTL1
SCHEMBL4573720 0.86 KCNJ1 (0.65) SIGMAR1ALDH1A1LMNAMAPTKCNJ1
SCHEMBL402564 0.84 SIGMAR1 (0.59) SIGMAR1ALDH1A1LMNAMAPTL3MBTL1
SCHEMBL21643470 0.83 MAPT (0.52) SIGMAR1ALDH1A1LMNAMAPTKDM4E
SCHEMBL29803029 0.83 MAPT (0.52) SIGMAR1ALDH1A1LMNAMAPTKDM4E
SCHEMBL4717096 0.83 SIGMAR1 (0.71) SIGMAR1ALDH1A1LMNAMAPTL3MBTL1
SCHEMBL27703661 0.83 SIGMAR1 (0.58) SIGMAR1ALDH1A1LMNAMAPTL3MBTL1
SCHEMBL17554422 0.83 ALDH1A1 (0.54) SIGMAR1ALDH1A1LMNAMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12264133-B2 Compounds, compositions and methods CYTOKINETICS, INCORPORATED (US) 2025-04-01 US disclosed
US-20220185779-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2022-06-16 US disclosed
US-20210198203-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2021-07-01 US disclosed
US-10975034-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2021-04-13 US disclosed
US-20190352267-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2019-11-21 US disclosed
US-10385023-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2019-08-20 US disclosed
US-20180305316-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2018-10-25 US disclosed
US-10035770-B2 Compounds, compositions and methods CYTOKINETICS, INCORPORATED (US) 2018-07-31 US disclosed
EP-2862859-B1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2018-07-25 EP disclosed
US-20170267638-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2017-09-21 US disclosed
US-20070197497-A1 Compounds, compositions and methods CYTOKINETICS, INC. 2007-08-23 US disclosed
US-20070161617-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-07-12 US disclosed
US-20070161617-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-07-12 US disclosed
WO-2007075377-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-07-05 WO disclosed
WO-2007070626-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-06-21 WO disclosed
WO-2007070683-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-06-21 WO disclosed
EP-1765327-A2 COMPOUNDS, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2007-03-28 EP disclosed
WO-2006009726-A2 SUBSTITUTED UREA DERIVATIVES FOR TREATING CARDIAC DISEASES CYTOKINETICS, INC. (US) 2006-01-26 WO disclosed
WO-2006009726-A2 SUBSTITUTED UREA DERIVATIVES FOR TREATING CARDIAC DISEASES CYTOKINETICS, INC. (US) 2006-01-26 WO disclosed
US-20060014761-A1 Substituted urea derivatives activate the cardiac sarcomere by potentiating cardiac myosin; systolic heart failure including congestive heart failure; 4-[(3-fluoro-5-{[(6-methyl(3-pyridyl))amino]carbonylamino}-phenyl)methyl]piperazinecarboxylate CYTOKINETICS, INCORPORATED 2006-01-19 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 (12 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-20070161617-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 SIGMAR1 3079/4885ALDH1A1 3619/4885LMNA 410/4885
US-20060014761-A1 Substituted urea derivatives activate the cardiac sarcomere by potentiating cardiac myosin; systolic heart failure including congestive heart failure; 4-[(3-fluoro-5-{[(6-methyl(3-pyridyl))amino]carbonylamino}-phenyl)methyl]piperazinecarboxylate TNNI3, MYLK2, TNNT2 SIGMAR1 3322/4885ALDH1A1 4250/4885LMNA 681/4885
US-20170267638-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 SIGMAR1 3801/4885ALDH1A1 4381/4885LMNA 187/4885
US-10385023-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 SIGMAR1 3801/4885ALDH1A1 4381/4885LMNA 187/4885
US-20220185779-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 SIGMAR1 3801/4885ALDH1A1 4381/4885LMNA 187/4885
US-12264133-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 SIGMAR1 3801/4885ALDH1A1 4381/4885LMNA 187/4885
US-20190352267-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 SIGMAR1 3801/4885ALDH1A1 4381/4885LMNA 187/4885
US-20070197497-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 SIGMAR1 3801/4885ALDH1A1 4381/4885LMNA 187/4885
US-10975034-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 SIGMAR1 3801/4885ALDH1A1 4381/4885LMNA 187/4885
US-10035770-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 SIGMAR1 3801/4885ALDH1A1 4381/4885LMNA 187/4885
US-20180305316-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 SIGMAR1 3801/4885ALDH1A1 4381/4885LMNA 187/4885
US-20210198203-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 SIGMAR1 3801/4885ALDH1A1 4381/4885LMNA 187/4885

“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.