Sepantronium

Sepantronium

SCHEMBL2814447

COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Cl-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Sepantronium. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BIRC5 O15392 1/20 0.98
RIPK2 O43353 1/20 0.98
SP1 P08047 1/20 0.98
ILF3 Q12906 1/20 0.98
PAK1 Q13153 1/20 0.98
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
CCND2 P30279 1/20 0.35
CCND3 P30281 1/20 0.35
NOX4 Q9NPH5 1/20 0.34
CYP1A2 P05177 5/20 0.33
CYP3A4 P08684 3/20 0.33
CLK4 Q9HAZ1 2/20 0.33
ADORA2B P29275 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 4/20 0.33
HSD17B10 Q99714 2/20 0.33
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
MAPK1 P28482 2/20 0.32

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
Sepantronium SCHEMBL2814857 1.00 BIRC5 (0.98) BIRC5RIPK2SP1ILF3PAK1
Sepantronium SCHEMBL29493286 0.99 BIRC5 (1.00) BIRC5RIPK2SP1ILF3PAK1
Sepantronium SCHEMBL727997 0.99 BIRC5 (1.00) BIRC5RIPK2SP1ILF3PAK1
Bromide SCHEMBL15062823 0.87 BIRC5 (0.79) BIRC5RIPK2SP1ILF3PAK1
SCHEMBL6190071 0.86 BIRC5 (0.74) BIRC5RIPK2SP1ILF3PAK1
SCHEMBL6190207 0.85 BIRC5 (0.72) BIRC5RIPK2SP1ILF3PAK1
Sepantronium SCHEMBL29464041 0.84 BIRC5 (0.71) BIRC5RIPK2SP1ILF3PAK1
Sepantronium SCHEMBL6188375 0.84 BIRC5 (0.71) BIRC5RIPK2SP1ILF3PAK1
Sepantronium SCHEMBL16584072 0.83 BIRC5 (0.73) BIRC5RIPK2SP1ILF3PAK1
Sepantronium SCHEMBL29379252 0.83 BIRC5 (0.73) BIRC5RIPK2SP1ILF3PAK1

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
EP-1614686-B1 BROMIDE AND ITS CRYSTAL ASTELLAS PHARMA INC (JP) 2014-05-07 EP disclosed
US-20100249413-A1 STABILIZED PHARMACEUTICAL COMPOSITION ASTELLAS PHARMA INC. (JP) 2010-09-30 US disclosed
EP-2055304-A1 STABILIZED PHARMACEUTICAL COMPOSITION Astellas Pharma Inc. (JP) 2009-05-06 EP disclosed
US-20060223831-A1 Bromide and its crystal ASTELLAS PHARMA INC. (JP) 2006-10-05 US disclosed
EP-1614686-A1 BROMIDE AND ITS CRYSTAL Astellas Pharma Inc. (JP) 2006-01-11 EP 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-20060223831-A1 Bromide and its crystal B2M, PBRM1, POLM BIRC5 1109/4885RIPK2 3146/4885SP1 4106/4885

“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.