SCHEMBL10315541

SCHEMBL10315541

Nc1cc(F)cc(CN2CCCCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
HTT P42858 1/20 0.50
HRH3 Q9Y5N1 2/20 0.48
MAP4K4 O95819 1/20 0.46
KDM4E B2RXH2 6/20 0.45
HRH4 Q9H3N8 1/20 0.44
GAA P10253 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
PRMT6 Q96LA8 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL30340989 0.87 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2HTTHRH3KDM4E
SCHEMBL2108519 0.85 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2HTTHRH3MAP4K4
SCHEMBL29716091 0.83 LMNA (0.57) ALDH1A1SMN1; SMN2MAP4K4KDM4EPRMT6
SCHEMBL8521055 0.83 SIGMAR1 (0.47) ALDH1A1SMN1; SMN2HRH3TDP1
SCHEMBL15000246 0.83 LMNA (0.57) ALDH1A1SMN1; SMN2MAP4K4KDM4EPRMT6
SCHEMBL1936493 0.80 PRMT6 (0.61) ALDH1A1SMN1; SMN2HTTHRH3MAP4K4
SCHEMBL13674757 0.80 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2HTTHRH3KDM4E
SCHEMBL17096000 0.79 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2HTTHRH3KDM4E
SCHEMBL30380956 0.79 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2HTTHRH3KDM4E
SCHEMBL545978 0.78 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2HTTHRH3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10035770-B2 Compounds, compositions and methods CYTOKINETICS, INCORPORATED (US) 2018-07-31 US disclosed
US-20170267638-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2017-09-21 US disclosed
US-9643925-B2 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2017-05-09 US disclosed
US-20160115133-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2016-04-28 US disclosed
US-9150564-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2015-10-06 US disclosed
US-20150005296-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2015-01-01 US disclosed
US-8871769-B2 Ureas and their use in the treatment of heart failure CYTOKINETICS, INC. (US) 2014-10-28 US disclosed
US-8871768-B2 Certain chemical entities, compositions and methods CYTOKINETICS, INC. (US) 2014-10-28 US disclosed
US-20140038983-A1 UREAS AND THEIR USE IN THE TREATMENT OF HEART FAILURE CYTOKINETICS, INCORPORATED (US) 2014-02-06 US disclosed
US-8513257-B2 Ureas and their use in the treatment of heart failure CYTOKINETICS, INCORPORATED (US) 2013-08-20 US disclosed
US-20120172372-A1 Ureas and Their Use in the Treatment of Heart Failure CYTOKINETICS, INC. 2012-07-05 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 (6 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-20120172372-A1 Ureas and Their Use in the Treatment of Heart Failure TNNI3, TNNT2, MYLK2 ALDH1A1 3361/4885SMN1; SMN2 1643/4885HTT 2082/4885
US-20170267638-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 ALDH1A1 4381/4885SMN1; SMN2 676/4885HTT 3069/4885
US-20140038983-A1 UREAS AND THEIR USE IN THE TREATMENT OF HEART FAILURE TNNI3, TNNT2, MYLK2 ALDH1A1 3361/4885SMN1; SMN2 1643/4885HTT 2082/4885
US-20150005296-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 ALDH1A1 4381/4885SMN1; SMN2 676/4885HTT 3069/4885
US-20160115133-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 ALDH1A1 4381/4885SMN1; SMN2 676/4885HTT 3069/4885
US-10035770-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 ALDH1A1 4381/4885SMN1; SMN2 676/4885HTT 3069/4885

“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.