SCHEMBL10315547

SCHEMBL10315547

O=[N+]([O-])c1cc(F)cc(CN2CCCCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HRH3 Q9Y5N1 1/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL30560047 0.85 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KDM4ETDP1
SCHEMBL14999866 0.85 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KDM4ETDP1
SCHEMBL3166616 0.81 ALDH1A1 (0.54) ALDH1A1HRH3KDM4EMEN1KMT2A
SCHEMBL4521742 0.80 TSHR (0.52) ALDH1A1HRH3KDM4ETDP1
SCHEMBL30340989 0.80 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2HRH3HTTKDM4E
SCHEMBL22307651 0.79 ALDH1A1 (0.51) ALDH1A1HRH3KDM4EMEN1KMT2A
SCHEMBL2108519 0.78 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2HRH3HTTKDM4E
SCHEMBL3568406 0.77 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2KDM4ETDP1MEN1
SCHEMBL922442 0.77 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2KDM4ETDP1MEN1
SCHEMBL247593 0.77 VCAM1 (0.56) ALDH1A1SMN1; SMN2HRH3KDM4ETDP1

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 1643/4885HRH3 2219/4885
US-20170267638-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 ALDH1A1 4381/4885SMN1; SMN2 676/4885HRH3 3208/4885
US-20140038983-A1 UREAS AND THEIR USE IN THE TREATMENT OF HEART FAILURE TNNI3, TNNT2, MYLK2 ALDH1A1 3361/4885SMN1; SMN2 1643/4885HRH3 2219/4885
US-20150005296-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 ALDH1A1 4381/4885SMN1; SMN2 676/4885HRH3 3208/4885
US-20160115133-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 ALDH1A1 4381/4885SMN1; SMN2 676/4885HRH3 3208/4885
US-10035770-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 ALDH1A1 4381/4885SMN1; SMN2 676/4885HRH3 3208/4885

“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.