SCHEMBL1541038

SCHEMBL1541038

N[C@H](CCN1CCCC1)CSc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
ALDH1A1 P00352 2/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
Hydrochloric Acid SCHEMBL31570871 0.98 LTA4H (0.46) LTA4HMAOAMAOBSLC6A3KMT2A
Hydrochloric Acid SCHEMBL31570838 0.97 LTA4H (0.44) LTA4HMAOAMAOBSLC6A3KMT2A
Hydrochloric Acid SCHEMBL31570851 0.97 LTA4H (0.44) LTA4HMAOAMAOBSLC6A3KMT2A
Hydrochloric Acid SCHEMBL31570866 0.95 MAOA (0.45) LTA4HMAOAMAOBKMT2AMEN1
SCHEMBL25424456 0.89 HSD17B10 (0.47) MAOAMAOBKMT2AALDH1A1SIGMAR1
SCHEMBL25424454 0.89 HSD17B10 (0.47) MAOAMAOBKMT2AALDH1A1SIGMAR1
SCHEMBL1540211 0.88 MAOA (0.47) MAOAMAOBKMT2AMEN1ALDH1A1
SCHEMBL25087871 0.88 HSD17B10 (0.48) MAOAMAOBKMT2AMEN1ALDH1A1
SCHEMBL376570 0.88 HSD17B10 (0.48) MAOAMAOBKMT2AMEN1ALDH1A1
SCHEMBL19145150 0.88 MAOA (0.47) MAOAMAOBKMT2AMEN1ALDH1A1

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 25 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
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-7358251-B2 N-sulfonylurea apoptosis promoters ABBOTT LABORATORIES (US) 2008-04-15 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 LTA4H 3792/4885MAOA 2958/4885MAOB 2943/4885
US-20130190488-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 LTA4H 3792/4885MAOA 2958/4885MAOB 2943/4885
US-20070015787-A1 Apoptosis promoters BAX, BCL2, API5 LTA4H 3792/4885MAOA 2958/4885MAOB 2943/4885
US-20060258657-A1 Apoptosis promoters BAX, BCL2, API5 LTA4H 3792/4885MAOA 2958/4885MAOB 2943/4885
US-20100022773-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 LTA4H 3792/4885MAOA 2958/4885MAOB 2943/4885
US-20050159427-A1 N-acylsulfonamide apoptosis promoters BAX, API5, CCAR2 LTA4H 3360/4885MAOA 3900/4885MAOB 3134/4885
US-20100240715-A1 Apoptosis promoters BAX, BCL2, API5 LTA4H 3792/4885MAOA 2958/4885MAOB 2943/4885
US-20140187531-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 LTA4H 3792/4885MAOA 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 LTA4H 4327/4885MAOA 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.