SCHEMBL4125532

SCHEMBL4125532

O=C(O)NCCN1CC2CN(CCOc3ccc(Br)cc3F)CC(C1)O2

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.55
ALDH1A1 P00352 3/20 0.55
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 1/20 0.45
KDM1A O60341 2/20 0.45
MAPT P10636 2/20 0.42
HTT P42858 1/20 0.42
HTR1B P28222 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
HRH3 Q9Y5N1 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
SCHEMBL1619391 0.85 KCNH2 (0.48) KDM4EALDH1A1KDM1AHTTHRH3
SCHEMBL4133463 0.81 KCNH2 (0.54) KDM4EALDH1A1HTTL3MBTL1HRH3
SCHEMBL4134395 0.80 KCNH2 (0.49) KDM4EALDH1A1KDM1AHRH3
SCHEMBL1620192 0.80 KDM4E (0.51) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL4130153 0.77 KCNH2 (0.51) KDM4EALDH1A1HRH3
SCHEMBL4133154 0.76 KCNH2 (0.43) KDM4EALDH1A1HTT
SCHEMBL4128894 0.76 KCNH2 (0.46) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL6150612 0.74 KDM4E (0.43) KDM4EALDH1A1MEN1KMT2ATDP1
Azd1305 SCHEMBL3120188 0.73 KCNH2 (0.46) KDM4EALDH1A1HRH3
SCHEMBL4139906 0.73 KCNH2 (0.56) KDM4EALDH1A1MEN1KMT2A

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 KDM4E 3729/4885ALDH1A1 1142/4885MEN1 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.