SCHEMBL3125156

SCHEMBL3125156

N#Cc1ccc(S(=O)(=O)NCCN2CC3CN(CCc4ccc(Cl)cc4)CC(C2)O3)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.48
LSS P48449 3/20 0.46
CYP19A1 P11511 2/20 0.45
CNR1 P21554 1/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
TBXA2R P21731 1/20 0.42
KCNJ1 P48048 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
PPARG P37231 1/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL3131046 0.90 KCNH2 (0.57) KCNH2LSSCYP19A1KMT2AMEN1
SCHEMBL3122664 0.90 KCNH2 (0.57) KCNH2LSSCYP19A1KMT2AMEN1
SCHEMBL3123016 0.90 LSS (0.51) KCNH2LSSCYP19A1KCNJ1ALDH1A1
SCHEMBL3131601 0.88 KCNH2 (0.52) KCNH2LSSCYP19A1CNR1THRB
SCHEMBL3127670 0.87 KCNH2 (0.54) KCNH2LSSCYP19A1CNR1KCNJ1
SCHEMBL3130036 0.87 KCNH2 (0.48) KCNH2LSSCYP19A1KCNJ1
SCHEMBL3124546 0.85 KCNH2 (0.52) KCNH2LSSCYP19A1KCNJ1ALDH1A1
SCHEMBL3117552 0.84 KCNH2 (0.55) KCNH2LSSCYP19A1CNR1KMT2A
SCHEMBL3129028 0.84 KCNH2 (0.57) KCNH2LSSCYP19A1KMT2AMEN1
SCHEMBL3124734 0.84 KCNH2 (0.57) KCNH2LSSCYP19A1KMT2AMEN1

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-7648985-B2 Oxabispidine compounds and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2010-01-19 US disclosed
US-20090270383-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2009-10-29 US disclosed
US-20090005558-A1 Novel Oxabispidine Compounds and Their Use in the Treatment of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2009-01-01 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 (2 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-20090270383-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias KCNH1, RYR1, CACNA1E KCNH2 8/4885LSS 2600/4885CYP19A1 2130/4885
US-20090005558-A1 Novel Oxabispidine Compounds and Their Use in the Treatment of Cardiac Arrhythmias KCNH1, RYR1, CACNA1E KCNH2 8/4885LSS 2600/4885CYP19A1 2130/4885

“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.