SCHEMBL1539943

SCHEMBL1539943

[NH][C@H](CCNCc1ccccn1)CSc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.49
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
SIRT2 Q8IXJ6 1/20 0.47
KDM4E B2RXH2 2/20 0.44
PLK1 P53350 1/20 0.43
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
ALDH1A1 P00352 2/20 0.40
ALOX15 P16050 2/20 0.40
TSHR P16473 2/20 0.40
SCN8A Q9UQD0 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MPO P05164 1/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL1540737 0.88 ALDH1A1 (0.48) CHRM2ALDH1A1ALOX15NPC1RAB9A
SCHEMBL6025208 0.88 ALDH1A1 (0.48) CHRM2ALDH1A1ALOX15NPC1RAB9A
SCHEMBL1539944 0.84 CHRM2 (0.49) CHRM2MEN1KMT2ASIRT2KDM4E
SCHEMBL1540344 0.80 CYP3A4 (0.44) MEN1KMT2AMAOAALDH1A1CYP1A2
SCHEMBL20024580 0.79 SIRT2 (0.62) CHRM2MEN1KMT2ASIRT2KDM4E
SCHEMBL3949200 0.75 MEN1 (0.40) CHRM2MEN1KMT2ASIRT2KDM4E
SCHEMBL1540248 0.75 MAOA (0.39) MAOAMAOBALDH1A1MAPT
SCHEMBL15484879 0.74 KDM4E (0.50) CHRM2MEN1KMT2ASIRT2KDM4E
SCHEMBL1539973 0.73 MAOA (0.38) MAOAMAOBALDH1A1
SCHEMBL1540738 0.73 CYP1A2 (0.48) CHRM2MAOAMAOBALDH1A1ALOX15

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.