SCHEMBL1539944

SCHEMBL1539944

N[C@H](CCNCc1ccccn1)CSc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.49
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
SIRT2 Q8IXJ6 1/20 0.47
KDM4E B2RXH2 2/20 0.44
PLK1 P53350 1/20 0.43
MPO P05164 1/20 0.43
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
ALOX15 P16050 2/20 0.40
SCN8A Q9UQD0 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39

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
SCHEMBL1540738 0.88 CYP1A2 (0.48) CHRM2MAOAMAOBALOX15ALDH1A1
SCHEMBL1539943 0.84 CHRM2 (0.49) CHRM2MEN1KMT2ASIRT2KDM4E
SCHEMBL1540345 0.80 CYP3A4 (0.44) MEN1KMT2AMAOAMAOBALDH1A1
SCHEMBL20024580 0.79 SIRT2 (0.62) CHRM2MEN1KMT2ASIRT2KDM4E
SCHEMBL4790603 0.78 CHRM2 (0.58) CHRM2MEN1KMT2ASIRT2KDM4E
SCHEMBL15484879 0.76 KDM4E (0.50) CHRM2MEN1KMT2ASIRT2KDM4E
SCHEMBL3949205 0.75 BCL2L1 (0.40) CHRM2MEN1KMT2ASIRT2KDM4E
SCHEMBL3949200 0.75 MEN1 (0.40) CHRM2MEN1KMT2ASIRT2KDM4E
SCHEMBL1540249 0.75 MAOA (0.46) MAOAMAOBALDH1A1
SCHEMBL2236666 0.74 CHRM2 (0.53) CHRM2MEN1KMT2ASIRT2KDM4E

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3048098-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS AbbVie Bahamas Limited (BS) 2016-07-27 EP disclosed
EP-1685119-B1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBVIE BAHAMAS LTD (BS) 2016-03-09 EP disclosed
US-9045444-B2 Apoptosis promoters ABBVIE INC. (US) 2015-06-02 US disclosed
US-20140187531-A1 APOPTOSIS PROMOTERS ABBVIE INC. (US) 2014-07-03 US disclosed
EP-2308812-B1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBVIE BAHAMAS LTD (BS) 2014-02-26 EP disclosed
US-8614318-B2 Apoptosis promoters ABBVIE INC. (US) 2013-12-24 US disclosed
US-20130190488-A1 APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2013-07-25 US disclosed
US-8354404-B2 Apoptosis promoters ABBOTT LABORATORIES (US) 2013-01-15 US disclosed
US-8173811-B2 Apoptosis promoters ABBOTT LABORATORIES (US) 2012-05-08 US disclosed
US-8084607-B2 Apoptosis promoters ABBOTT LABORATORIES (US) 2011-12-27 US disclosed
EP-2308812-A2 N-acylsulfonamide apoptosis promoters Abbott Laboratories (US) 2011-04-13 EP disclosed
US-20100240715-A1 Apoptosis promoters ABBOTT LABORATORIES 2010-09-23 US disclosed
US-7767684-B2 Apoptosis promoters ABBOTT LABORATORIES (US) 2010-08-03 US disclosed
US-20100022773-A1 APOPTOSIS PROMOTERS ABBVIE INC. 2010-01-28 US disclosed
US-7642260-B2 N-acylsulfonamide derivatives; BCL-X1 protein inhibitors; anticarcinogenic agents; bladder cancer; for example, N-(4-(4-((4'-chloro(1,1'-biphenyl)-2-yl)methyl)piperazin-1-yl)benzoyl)-4-(((1R)-3-(dimethylamino)-1-((phenylsulfanyl)methyl)-propyl)amino)-3-nitrobenzenesulfonamide ABBOTT LABORATORIES, INC. (US) 2010-01-05 US disclosed
US-20070072860-A1 N-acylsulfonamide derivatives; BCL-X1 protein inhibitors; anticarcinogenic agents; bladder cancer; for example, N-(4-(4-((4'-chloro(1,1'-biphenyl)-2-yl)methyl)piperazin-1-yl)benzoyl)-4-(((1R)-3-(dimethylamino)-1-((phenylsulfanyl)methyl)-propyl)amino)-3-nitrobenzenesulfonamide ABBOTT LABORATORIES 2007-03-29 US disclosed
US-20070015787-A1 Apoptosis promoters ABBVIE INC. 2007-01-18 US disclosed
US-20060258657-A1 Apoptosis promoters ABBVIE INC. 2006-11-16 US disclosed
US-20060128706-A1 Apoptosis promoters ABBVIE INC. 2006-06-15 US disclosed
US-20050159427-A1 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES 2005-07-21 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 (9 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-20060128706-A1 Apoptosis promoters BAX, BCL2, API5 CHRM2 4710/4885MEN1 4483/4885KMT2A 4140/4885
US-20130190488-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 CHRM2 4710/4885MEN1 4483/4885KMT2A 4140/4885
US-20070015787-A1 Apoptosis promoters BAX, BCL2, API5 CHRM2 4710/4885MEN1 4483/4885KMT2A 4140/4885
US-20060258657-A1 Apoptosis promoters BAX, BCL2, API5 CHRM2 4710/4885MEN1 4483/4885KMT2A 4140/4885
US-20100022773-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 CHRM2 4710/4885MEN1 4483/4885KMT2A 4140/4885
US-20050159427-A1 N-acylsulfonamide apoptosis promoters BAX, API5, CCAR2 CHRM2 4872/4885MEN1 4421/4885KMT2A 3521/4885
US-20100240715-A1 Apoptosis promoters BAX, BCL2, API5 CHRM2 4710/4885MEN1 4483/4885KMT2A 4140/4885
US-20140187531-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 CHRM2 4710/4885MEN1 4483/4885KMT2A 4140/4885
US-20070072860-A1 N-acylsulfonamide derivatives; BCL-X1 protein inhibitors; anticarcinogenic agents; bladder cancer; for example, N-(4-(4-((4'-chloro(1,1'-biphenyl)-2-yl)methyl)piperazin-1-yl)benzoyl)-4-(((1R)-3-(dimethylamino)-1-((phenylsulfanyl)methyl)-propyl)amino)-3-nitrobenzenesulfonamide BCL2A1, BAX, BCL2L1 CHRM2 4703/4885MEN1 4366/4885KMT2A 2464/4885

“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.