SCHEMBL1539955

SCHEMBL1539955

CON=C1CCN(CC[C@@H]([NH])CSc2ccccc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
PKM P14618 1/20 0.38
GPR55 Q9Y2T6 2/20 0.37
GLA P06280 1/20 0.37
LTA4H P09960 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL1539956 0.86 NPC1 (0.39) NPC1RAB9AMAPTNPSR1TDP1
SCHEMBL1541034 0.82 LTA4H (0.50) NPC1RAB9ATDP1LTA4HMEN1
SCHEMBL1540208 0.79 SIGMAR1 (0.44) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL1540060 0.77 HSD17B10 (0.48) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6468986 0.77 HSD17B10 (0.48) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL1540333 0.76 MEN1 (0.39) NPC1RAB9ALTA4HMEN1KMT2A
SCHEMBL1539960 0.76 KDM4E (0.45) NPC1RAB9ALTA4HMEN1KMT2A
SCHEMBL1540010 0.74 KCNA3 (0.57) NPC1RAB9ALTA4HMEN1KMT2A
SCHEMBL1540061 0.74 RAB9A (0.40) NPC1RAB9AMAPTGPR55GLA
SCHEMBL1540241 0.72 SIGMAR1 (0.47) NPC1RAB9AMEN1KMT2AKDM4E

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 NPC1 2977/4885RAB9A 4345/4885MAPT 4100/4885
US-20130190488-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 NPC1 2977/4885RAB9A 4345/4885MAPT 4100/4885
US-20070015787-A1 Apoptosis promoters BAX, BCL2, API5 NPC1 2977/4885RAB9A 4345/4885MAPT 4100/4885
US-20060258657-A1 Apoptosis promoters BAX, BCL2, API5 NPC1 2977/4885RAB9A 4345/4885MAPT 4100/4885
US-20100022773-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 NPC1 2977/4885RAB9A 4345/4885MAPT 4100/4885
US-20050159427-A1 N-acylsulfonamide apoptosis promoters BAX, API5, CCAR2 NPC1 2502/4885RAB9A 3654/4885MAPT 4640/4885
US-20100240715-A1 Apoptosis promoters BAX, BCL2, API5 NPC1 2977/4885RAB9A 4345/4885MAPT 4100/4885
US-20140187531-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 NPC1 2977/4885RAB9A 4345/4885MAPT 4100/4885
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 NPC1 4257/4885RAB9A 3670/4885MAPT 4463/4885

“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.