SCHEMBL3128798

SCHEMBL3128798

N#Cc1ccc(S(=O)(=O)NCCN2CC3CN(Cc4ccccc4)CC(C2)O3)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.56
KCNH2 Q12809 2/20 0.49
HTR7 P34969 3/20 0.48
CYP19A1 P11511 2/20 0.46
LSS P48449 1/20 0.46
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
AR P10275 1/20 0.41
DRD2 P14416 4/20 0.41
DRD3 P35462 4/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
FAAH O00519 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
SCHEMBL3131601 0.95 KCNH2 (0.52) THRBKCNH2HTR7CYP19A1LSS
SCHEMBL3119501 0.94 HTR7 (0.57) THRBKCNH2HTR7CYP19A1LSS
SCHEMBL3123016 0.92 LSS (0.51) THRBKCNH2CYP19A1LSSALDH1A1
SCHEMBL3129028 0.90 KCNH2 (0.57) THRBKCNH2CYP19A1LSSALDH1A1
SCHEMBL3124734 0.90 KCNH2 (0.57) THRBKCNH2CYP19A1LSSALDH1A1
SCHEMBL3128280 0.88 KCNH2 (0.47) THRBKCNH2ALDH1A1KMT2AMEN1
SCHEMBL3126734 0.88 KCNH2 (0.50) THRBKCNH2HTR7CYP19A1LSS
SCHEMBL3119466 0.87 KCNH2 (0.49) THRBKCNH2HTR7CYP19A1ALDH1A1
SCHEMBL3128426 0.87 KCNH2 (0.47) THRBKCNH2HTR7CYP19A1LSS
SCHEMBL3128826 0.86 TAAR1 (0.54) KCNH2HTR7CYP19A1ALDH1A1KMT2A

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 5 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
EP-1765832-A1 NOVEL OXABISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2007-03-28 EP disclosed
WO-2005123748-A1 NOVEL OXABISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2005-12-29 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 (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 THRB 486/4885KCNH2 8/4885HTR7 4429/4885
US-20090005558-A1 Novel Oxabispidine Compounds and Their Use in the Treatment of Cardiac Arrhythmias KCNH1, RYR1, CACNA1E THRB 486/4885KCNH2 8/4885HTR7 4429/4885

“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.