SCHEMBL4134400

SCHEMBL4134400

N#Cc1ccc(OCC(O)CN2CC3CN(CCCNC(=O)O)CC(C2)O3)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.67
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPK1 P28482 2/20 0.45
POLB P06746 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
HRH2 P25021 2/20 0.41
HRH1 P35367 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
GLA P06280 1/20 0.38

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
SCHEMBL4128937 1.00 KCNH2 (0.67) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL4134172 0.97 KCNH2 (0.66) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL1619314 0.94 KCNH2 (0.72) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL3605800 0.94 KCNH2 (0.72) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL3598224 0.87 KCNH2 (0.57) KCNH2MEN1HRH2HRH1HRH3
SCHEMBL1619409 0.86 KCNH2 (0.54) KCNH2MEN1HRH2HRH1HRH3
SCHEMBL6151398 0.85 KCNH2 (0.64) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL2964698 0.85 KCNH2 (0.64) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL4137821 0.85 KCNH2 (0.60) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL2966221 0.85 KCNH2 (0.70) KCNH2KDM4EALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054422-A1 New Oxabispidine Compounds For The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2009-02-26 US disclosed
EP-1893619-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTMIAS AstraZeneca AB (SE) 2008-03-05 EP disclosed
WO-2006135316-A1 New oxabispidine compounds for the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2006-12-21 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-20090054422-A1 New Oxabispidine Compounds For The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E KCNH2 6/4885KDM4E 3729/4885ALDH1A1 1142/4885

“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.