SCHEMBL4500634

SCHEMBL4500634

CNC(=O)N(CCOc1ccc(C#N)cc1)CCOS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.46
ALDH1A1 P00352 2/20 0.45
CACNA1H O95180 2/20 0.44
CACNA1B Q00975 2/20 0.44
MMP3 P08254 2/20 0.43
KCNA5 P22460 1/20 0.43
HCRTR2 O43614 1/20 0.41
RORC P51449 1/20 0.40
MAPT P10636 1/20 0.40
KDM1A O60341 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
POLB P06746 1/20 0.38
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL4499300 0.87 MMP2 (0.50) MMP2ALDH1A1CACNA1HCACNA1BMMP3
SCHEMBL9663522 0.81 ALDH1A1 (0.54) MMP2ALDH1A1CACNA1HCACNA1BMMP3
SCHEMBL4508086 0.80 MMP2 (0.55) MMP2ALDH1A1CACNA1HCACNA1BMMP3
SCHEMBL1619467 0.79 ALDH1A1 (0.53) MMP2ALDH1A1CACNA1HCACNA1BKCNA5
SCHEMBL12751681 0.77 ALDH1A1 (0.51) MMP2ALDH1A1MMP3MAPTCA12
SCHEMBL4502821 0.75 HCRTR2 (0.43) ALDH1A1HCRTR2RORCKDM1ACA12
SCHEMBL4508027 0.75 KCNA5 (0.47) ALDH1A1KCNA5MAPTPOLB
SCHEMBL5258061 0.74 HCRTR2 (0.45) ALDH1A1CACNA1HCACNA1BHCRTR2RORC
SCHEMBL8780882 0.71 BCHE (0.52) ALDH1A1HCRTR2RORCMAPTCA12
SCHEMBL8069545 0.71 CA12 (0.63) CA12CA1CA9POLB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099162-A2 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20080319198-A2 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2008-12-25 US disclosed
US-20080249086-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2008-10-09 US disclosed
US-20080207899-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2008-08-28 US disclosed
US-20080146812-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2008-06-19 US disclosed
US-7354917-B2 Oxabispidine compounds and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2008-04-08 US disclosed
US-20070259864-A1 Novel Oxabispidine Compounds and Their Use in the Treatment of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2007-11-08 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 (6 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-20090099162-A2 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E MMP2 4639/4885ALDH1A1 445/4885CACNA1H 19/4885
US-20080207899-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E MMP2 4639/4885ALDH1A1 445/4885CACNA1H 19/4885
US-20070259864-A1 Novel Oxabispidine Compounds and Their Use in the Treatment of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E MMP2 4639/4885ALDH1A1 445/4885CACNA1H 19/4885
US-20080146812-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E MMP2 4639/4885ALDH1A1 445/4885CACNA1H 19/4885
US-20080319198-A2 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E MMP2 4639/4885ALDH1A1 445/4885CACNA1H 19/4885
US-20080249086-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E MMP2 4639/4885ALDH1A1 445/4885CACNA1H 19/4885

“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.