SCHEMBL7034748

SCHEMBL7034748

CS(=O)(=O)Nc1ccc(CN2CC3CC(C2)CN(Cc2ccc(NS(C)(=O)=O)cc2)C3)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.53
KDM4E B2RXH2 1/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ABCB1 P08183 1/20 0.46
JAK2 O60674 5/20 0.44
JAK3 P52333 3/20 0.44
KIF11 P52732 1/20 0.42
HRH4 Q9H3N8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
HTR4 Q13639 1/20 0.41
KEAP1 Q14145 1/20 0.41
PGR P06401 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 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
SCHEMBL9523570 0.82 PKM (0.50) HTTALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL9625113 0.78 JAK2 (0.63) HTTALDH1A1LMNAKDM4EHPGD
SCHEMBL23775591 0.77 JAK2 (0.52) HTTALDH1A1LMNAKDM4EHPGD
SCHEMBL10410778 0.75 FUCA1 (0.42) SMN1; SMN2
SCHEMBL6738623 0.75 KDM4E (0.41) HTTALDH1A1LMNAKDM4EHPGD
SCHEMBL10729748 0.74 ALDH1A1 (0.50) HTTALDH1A1LMNAKDM4EHPGD
SCHEMBL23775634 0.74 JAK2 (0.52) HTTALDH1A1LMNAKDM4EHPGD
SCHEMBL11143601 0.72 ALDH1A1 (0.49) HTTALDH1A1LMNAKDM4EHPGD
SCHEMBL9565993 0.71 HPGD (0.70) HTTALDH1A1LMNAKDM4EHPGD
SCHEMBL1449837 0.71 LTA4H (0.55) HTTALDH1A1LMNAKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030212095-A1 New bispidine compounds and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2003-11-13 US disclosed
EP-1301510-A1 NEW BISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2003-04-16 EP disclosed
WO-2002004446-A1 NEW BISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2002-01-17 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-20030212095-A1 New bispidine compounds and their use in the treatment of cardiac arrhythmias KCNH1, LBR, CACNA1E HTT 2814/4885ALDH1A1 892/4885LMNA 837/4885

“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.