SCHEMBL4139906

SCHEMBL4139906

N#Cc1ccc(OC[C@@H](O)CN2CC3CN(CCNC(=O)O)CC(C2)O3)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.56
USP30 Q70CQ3 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 1/20 0.36
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
POLB P06746 2/20 0.35
SLC6A9 P48067 1/20 0.34
ABCB1 P08183 1/20 0.34

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
SCHEMBL4134243 0.89 KCNH2 (0.54) KCNH2MEN1KMT2AALDH1A1KDM4E
SCHEMBL1619391 0.87 KCNH2 (0.48) KCNH2USP30ALDH1A1KDM4EPOLB
SCHEMBL4133463 0.87 KCNH2 (0.54) KCNH2USP30ALDH1A1KDM4ETSHR
SCHEMBL1619314 0.86 KCNH2 (0.72) KCNH2MEN1KMT2AALDH1A1KDM4E
SCHEMBL3605800 0.86 KCNH2 (0.72) KCNH2MEN1KMT2AALDH1A1KDM4E
SCHEMBL4130153 0.83 KCNH2 (0.51) KCNH2USP30ALDH1A1KDM4E
SCHEMBL4134395 0.82 KCNH2 (0.49) KCNH2USP30ALDH1A1KDM4E
SCHEMBL4128937 0.81 KCNH2 (0.67) KCNH2MEN1KMT2AALDH1A1KDM4E
SCHEMBL4134400 0.81 KCNH2 (0.67) KCNH2MEN1KMT2AALDH1A1KDM4E
SCHEMBL4130161 0.81 KCNH2 (0.56) KCNH2KDM4EMAPK1TSHRPOLB

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 2 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 claimed
US-20090054422-A1 New Oxabispidine Compounds For The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2009-02-26 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 (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 6/4885USP30 3818/4885MEN1 1955/4885

“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.