SCHEMBL9901089

SCHEMBL9901089

O=[N+]([O-])OCN1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HRH3 Q9Y5N1 3/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LTA4H P09960 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
GAA P10253 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
SCHEMBL9799773 0.78 ALDH1A1 (0.44) ALDH1A1KDM4ETDP1MAPTHTT
SCHEMBL14607679 0.78 ALDH1A1 (0.40) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL4891409 0.76 LTA4H (0.45) ALDH1A1KDM4ETDP1MAPTHTT
SCHEMBL14573950 0.74 CRHBP (0.35) ALDH1A1
Cyclopropane SCHEMBL7531022 0.69 ALDH1A1 (0.46) ALDH1A1
SCHEMBL28408773 0.69 MAPT (0.39) ALDH1A1KDM4ETDP1MAPTHTT
SCHEMBL346747 0.66 HRH3 (0.43) ALDH1A1KDM4EMAPTL3MBTL1HRH3
SCHEMBL8670408 0.65 HRH3 (0.47) ALDH1A1KDM4ETDP1MAPTHTT
SCHEMBL797426 0.64 ALDH1A1 (0.37) ALDH1A1KDM4EMAPTHTTHRH3
SCHEMBL9803653 0.64 ALDH1A1 (0.36) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130338118-A1 COMPOUNDS FOR TREATMENT OF HEART FAILURE SOLVOTRIN INNOVATIONS LIMITED (IE) 2013-12-19 US claimed
EP-2665472-A1 COMPOUNDS FOR TREATMENT OF HEART FAILURE Solvotrin Innovations Limited (IE) 2013-11-27 EP claimed
WO-2012076667-A1 COMPOUNDS FOR TREATMENT OF HEART FAILURE SOLVOTRIN INNOVATIONS LIMITED (IE) 2012-06-14 WO claimed
EP-2665472-B1 COMPOUNDS FOR TREATMENT OF HEART FAILURE SOLVOTRIN INNOVATIONS LTD (IE) 2022-07-06 EP disclosed
US-9566342-B2 Compounds for treatment of heart failure SOLVOTRIN INNOVATIONS LIMITED (IE) 2017-02-14 US disclosed
US-20130338118-A1 COMPOUNDS FOR TREATMENT OF HEART FAILURE SOLVOTRIN INNOVATIONS LIMITED (IE) 2013-12-19 US disclosed
EP-2665472-A1 COMPOUNDS FOR TREATMENT OF HEART FAILURE Solvotrin Innovations Limited (IE) 2013-11-27 EP disclosed
WO-2012076667-A1 COMPOUNDS FOR TREATMENT OF HEART FAILURE SOLVOTRIN INNOVATIONS LIMITED (IE) 2012-06-14 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 (1 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-20130338118-A1 COMPOUNDS FOR TREATMENT OF HEART FAILURE MMP9, NOS2, MMP1 ALDH1A1 2466/4885KDM4E 2021/4885TDP1 2127/4885

“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.