SCHEMBL457900

SCHEMBL457900

CCCCc1cc2coccc-2c1N(S(C)(=O)=O)S(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
HTR7 P34969 1/20 0.37
HTR6 P50406 1/20 0.37
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31
CSNK2A3 Q8NEV1 1/20 0.31
CTRC Q99895 1/20 0.30

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
SCHEMBL2329649 0.78 KDM4E (0.36) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL5405213 0.75 CA2 (0.33) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL462653 0.75 HTR1A (0.36) HTR1ADRD2HTR2AHTR7HTR6
Hydrochloric Acid SCHEMBL5395885 0.73 HTR1A (0.36) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL5395789 0.70 ADORA2A (0.40) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL826916 0.60
Hydrogen Sulfide SCHEMBL3280224 0.57 TYR (0.42) CTRC
SCHEMBL983361 0.57 CTRC (0.41) KDM4EALDH1A1GAACTRC
SCHEMBL21675106 0.56 KIF11 (0.43)
SCHEMBL13995371 0.56 BRD4 (0.44) ALDH1A1CTRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012032545-A1 PROCESSES FOR PREPARING DRONEDARONE AND ITS INTERMEDIATES CADILA HEALTHCARE LIMITED (IN) 2012-03-15 WO disclosed
US-7312345-B2 Process for the preparation of dronedarone ISP INVESTMENTS INC. (US) 2007-12-25 US disclosed
US-20050049302-A1 Process for the preparation of dronedarone ISP INVESTMENTS LLC 2005-03-03 US disclosed
WO-2003040120-A1 PROCESS FOR THE PREPARATION OF DRONEDARONE ISP INVESTMENTS INC. (US) 2003-05-15 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 (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-20050049302-A1 Process for the preparation of dronedarone CACNA1C, CACNA1A, KCNH1 HTR1A 2491/4885DRD2 500/4885HTR2A 1068/4885

“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.