SCHEMBL3128462

SCHEMBL3128462

CN(CC=O)S(=O)(=O)c1ccc(C#N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.45
TSHR P16473 1/20 0.45
NR1H3 Q13133 1/20 0.43
NPC1 O15118 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
PTGS2 P35354 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
RORC P51449 2/20 0.40
HCRTR2 O43614 1/20 0.40
BRD1 O95696 1/20 0.40
BRPF1 P55201 1/20 0.40
NR1I2 O75469 1/20 0.40
RORA P35398 1/20 0.40
NR1H2 P55055 1/20 0.40
RORB Q92753 1/20 0.40
NR1H4 Q96RI1 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
SCHEMBL21339855 0.81 CYP19A1 (0.51) CYP19A1TSHRNR1H3NPC1CA12
SCHEMBL14136361 0.79 TAS2R14 (0.53) CYP19A1TSHRNPC1TAS2R14BCHE
SCHEMBL16627297 0.79 CYP19A1 (0.55) CYP19A1TSHRNR1H3NPC1CA12
SCHEMBL2224520 0.77 TSHR (0.60) CYP19A1TSHRNR1H3NPC1CA12
SCHEMBL20245329 0.76 CYP19A1 (0.53) CYP19A1TSHRNR1H3NPC1HCRTR2
SCHEMBL22144973 0.75 PDE4D (0.48) CA12CA1CA2CA9
SCHEMBL16627276 0.73 HTR2C (0.46) CYP19A1TSHRRORCTAS2R14KDM1A
SCHEMBL12667051 0.73 NR1H3 (0.47) CYP19A1TSHRNR1H3NPC1CA12
SCHEMBL29956555 0.73 CYP2A6 (0.39) NR1H3
SCHEMBL3636387 0.73 LMNA (0.63) NPC1HCRTR2TAS2R14KDM1A

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 CYP19A1 2130/4885TSHR 1482/4885NR1H3 926/4885
US-20090005558-A1 Novel Oxabispidine Compounds and Their Use in the Treatment of Cardiac Arrhythmias KCNH1, RYR1, CACNA1E CYP19A1 2130/4885TSHR 1482/4885NR1H3 926/4885

“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.