SCHEMBL1541034

SCHEMBL1541034

[NH][C@H](CCN1CCCC1)CSc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.50
SLC6A3 Q01959 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL1540208 0.88 SIGMAR1 (0.44) MEN1KMT2AALDH1A1SIGMAR1NPC1
SCHEMBL6468986 0.88 HSD17B10 (0.48) MEN1KMT2AALDH1A1SIGMAR1NPC1
SCHEMBL1540060 0.88 HSD17B10 (0.48) MEN1KMT2AALDH1A1SIGMAR1NPC1
SCHEMBL1540333 0.87 MEN1 (0.39) LTA4HMEN1KMT2AALDH1A1NPC1
SCHEMBL1539960 0.87 KDM4E (0.45) LTA4HMEN1KMT2AALDH1A1SIGMAR1
SCHEMBL1540061 0.84 RAB9A (0.40) LTA4HMEN1KMT2ANPC1RAB9A
SCHEMBL1540010 0.84 KCNA3 (0.57) LTA4HMEN1KMT2ANPC1RAB9A
SCHEMBL1539955 0.82 NPC1 (0.39) LTA4HMEN1KMT2ANPC1RAB9A
SCHEMBL1541038 0.81 LTA4H (0.47) LTA4HSLC6A3MEN1KMT2AALDH1A1
SCHEMBL1540997 0.80 KCNA3 (0.49) LTA4HMEN1KMT2AALDH1A1NPC1

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 LTA4H 3792/4885SLC6A3 4662/4885MEN1 4483/4885
US-20130190488-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 LTA4H 3792/4885SLC6A3 4662/4885MEN1 4483/4885
US-20070015787-A1 Apoptosis promoters BAX, BCL2, API5 LTA4H 3792/4885SLC6A3 4662/4885MEN1 4483/4885
US-20060258657-A1 Apoptosis promoters BAX, BCL2, API5 LTA4H 3792/4885SLC6A3 4662/4885MEN1 4483/4885
US-20100022773-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 LTA4H 3792/4885SLC6A3 4662/4885MEN1 4483/4885
US-20050159427-A1 N-acylsulfonamide apoptosis promoters BAX, API5, CCAR2 LTA4H 3360/4885SLC6A3 4121/4885MEN1 4421/4885
US-20100240715-A1 Apoptosis promoters BAX, BCL2, API5 LTA4H 3792/4885SLC6A3 4662/4885MEN1 4483/4885
US-20140187531-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 LTA4H 3792/4885SLC6A3 4662/4885MEN1 4483/4885
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 4327/4885SLC6A3 4599/4885MEN1 4366/4885

“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.