SCHEMBL1539961

SCHEMBL1539961

N[C@H](CCN1CCNCC1)CSc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.44
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
LTA4H P09960 1/20 0.38
KDM1A O60341 1/20 0.38
SLC6A4 P31645 1/20 0.38

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
SCHEMBL1541038 0.87 LTA4H (0.47) SIGMAR1MAOAMAOBALDH1A1MEN1
Hydrochloric Acid SCHEMBL31570871 0.85 LTA4H (0.46) SIGMAR1MAOAMAOBALDH1A1MEN1
Hydrochloric Acid SCHEMBL31570866 0.85 MAOA (0.45) MAOAMAOBALDH1A1NPC1RAB9A
SCHEMBL376570 0.84 HSD17B10 (0.48) SIGMAR1MAOAMAOBALDH1A1NPC1
Hydrochloric Acid SCHEMBL31570851 0.84 LTA4H (0.44) SIGMAR1MAOAMAOBALDH1A1MEN1
SCHEMBL25087871 0.84 HSD17B10 (0.48) SIGMAR1MAOAMAOBALDH1A1NPC1
SCHEMBL1540211 0.84 MAOA (0.47) SIGMAR1MAOAMAOBKDM4EALDH1A1
Hydrochloric Acid SCHEMBL31570838 0.84 LTA4H (0.44) SIGMAR1MAOAMAOBALDH1A1MEN1
SCHEMBL19145150 0.84 MAOA (0.47) SIGMAR1MAOAMAOBKDM4EALDH1A1
SCHEMBL15879946 0.84 MAOA (0.44) MAOAMAOBKDM4EALDH1A1NPC1

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 SIGMAR1 3492/4885MAOA 2958/4885MAOB 2943/4885
US-20130190488-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 SIGMAR1 3492/4885MAOA 2958/4885MAOB 2943/4885
US-20070015787-A1 Apoptosis promoters BAX, BCL2, API5 SIGMAR1 3492/4885MAOA 2958/4885MAOB 2943/4885
US-20060258657-A1 Apoptosis promoters BAX, BCL2, API5 SIGMAR1 3492/4885MAOA 2958/4885MAOB 2943/4885
US-20100022773-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 SIGMAR1 3492/4885MAOA 2958/4885MAOB 2943/4885
US-20050159427-A1 N-acylsulfonamide apoptosis promoters BAX, API5, CCAR2 SIGMAR1 3940/4885MAOA 3900/4885MAOB 3134/4885
US-20100240715-A1 Apoptosis promoters BAX, BCL2, API5 SIGMAR1 3492/4885MAOA 2958/4885MAOB 2943/4885
US-20140187531-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 SIGMAR1 3492/4885MAOA 2958/4885MAOB 2943/4885
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 SIGMAR1 2874/4885MAOA 4170/4885MAOB 3740/4885

“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.