SCHEMBL398692

SCHEMBL398692

O=C(c1cccc(S(=O)(=O)Nc2cccc(F)c2)c1)N1CCC(N2CCCCC2)CC1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.72
TDP1 Q9NUW8 2/20 0.66
ALDH1A1 P00352 3/20 0.62
L3MBTL1 Q9Y468 4/20 0.61
LMNA P02545 2/20 0.60
L3MBTL3 Q96JM7 3/20 0.58
CACNA1H O95180 1/20 0.55
MBTD1 Q05BQ5 1/20 0.54
HTT P42858 1/20 0.54
PKM P14618 1/20 0.53
RAB9A P51151 1/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
L3MBTL4 Q8NA19 1/20 0.53
MAPT P10636 1/20 0.53

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
SCHEMBL399293 0.99 POLB (0.74) POLBTDP1ALDH1A1L3MBTL1LMNA
SCHEMBL398558 0.91 L3MBTL1 (0.75) POLBTDP1ALDH1A1L3MBTL1L3MBTL3
SCHEMBL399296 0.90 L3MBTL1 (0.77) POLBTDP1ALDH1A1L3MBTL1L3MBTL3
SCHEMBL399014 0.89 L3MBTL3 (0.64) POLBTDP1ALDH1A1L3MBTL1LMNA
SCHEMBL395605 0.87 CACNA1H (0.74) POLBTDP1ALDH1A1L3MBTL1LMNA
SCHEMBL396044 0.87 CACNA1H (0.74) POLBTDP1ALDH1A1L3MBTL1LMNA
SCHEMBL397972 0.87 ALDH1A1 (0.80) POLBALDH1A1L3MBTL1LMNAL3MBTL3
SCHEMBL397289 0.85 ALDH1A1 (0.68) POLBTDP1ALDH1A1L3MBTL1LMNA
SCHEMBL395930 0.84 CACNA1H (0.76) POLBTDP1ALDH1A1L3MBTL1LMNA
SCHEMBL397752 0.83 ALDH1A1 (0.66) POLBALDH1A1L3MBTL1LMNAL3MBTL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2382191-B1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS ABBVIE BAHAMAS LTD (BS) 2014-11-12 EP claimed
US-20130210827-A1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-08-15 US claimed
US-8404719-B2 Substituted piperidinylcarbonylbenzenesulfonamides as calcium channel blockers ABBVIE INC. (US) 2013-03-26 US claimed
US-20120083499-A1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2012-04-05 US claimed
US-20100197693-A1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-08-05 US claimed
EP-2382191-B1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS ABBVIE BAHAMAS LTD (BS) 2014-11-12 EP disclosed
US-8741899-B2 (4-chloro-2-fluoro-N-(2-fluorophenyl)-5-[(8aR)-hexahydropyrrolo-[1,2-a]pyrazin-2(1H)-ylcarbonyl]-benzenesulfonamide, and pharmaceutically acceptable salts thereof ABBVIE INC. (US) 2014-06-03 US disclosed
US-20130210827-A1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-08-15 US disclosed
US-8404719-B2 Substituted piperidinylcarbonylbenzenesulfonamides as calcium channel blockers ABBVIE INC. (US) 2013-03-26 US disclosed
US-20120083499-A1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2012-04-05 US disclosed
US-8101614-B2 Substituted pyrrolo [1,2-a] pyrazines as calcium channel blockers ABBOTT LABORATORIES (US) 2012-01-24 US disclosed
US-20100197693-A1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-08-05 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 (3 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-20130210827-A1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS CACNA1E, RYR2, RYR1 POLB 4211/4885TDP1 3064/4885ALDH1A1 1038/4885
US-20120083499-A1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS CACNA1E, RYR2, RYR1 POLB 4211/4885TDP1 3064/4885ALDH1A1 1038/4885
US-20100197693-A1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS CACNA1E, RYR2, RYR1 POLB 4211/4885TDP1 3064/4885ALDH1A1 1038/4885

“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.