SCHEMBL1539930

SCHEMBL1539930

O=[C]c1ccc(N2CCN(Cc3ccccc3-c3cccs3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.49
DRD4 P21917 5/20 0.46
DRD3 P35462 3/20 0.46
BCL2 P10415 3/20 0.44
BCL2L1 Q07817 1/20 0.44
DRD5 P21918 3/20 0.43
DRD2 P14416 2/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
LTA4H P09960 1/20 0.42
HTT P42858 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
DRD1 P21728 1/20 0.39
BAK1 Q16611 2/20 0.38
MEN1 O00255 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
SCHEMBL1539931 0.84 HTR7 (0.49) HTR7DRD4DRD3BCL2BCL2L1
SCHEMBL1540196 0.82 HTR7 (0.51) HTR7DRD4DRD3BCL2BCL2L1
SCHEMBL1540313 0.82 HTR7 (0.74) HTR7DRD4DRD3BCL2BCL2L1
SCHEMBL28758994 0.82 HTR7 (0.55) HTR7DRD4DRD3BCL2DRD2
SCHEMBL1540103 0.80 HTR7 (0.56) HTR7DRD4DRD3BCL2DRD2
SCHEMBL1540037 0.80 HTR7 (0.71) HTR7DRD4DRD3BCL2BCL2L1
SCHEMBL1540287 0.78 BCL2 (0.60) HTR7DRD4BCL2BCL2L1KDM4E
SCHEMBL1540307 0.78 HTR7 (0.50) HTR7DRD4DRD3DRD2KDM4E
SCHEMBL1540391 0.78 HTR7 (0.60) HTR7DRD4DRD3BCL2DRD2
SCHEMBL1540044 0.78 LTA4H (0.37) KDM4EALDH1A1MAPTGAALTA4H

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 28 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
CN-1906183-B N-acylsulfonamide apoptosis promoters ABBOTT LAB 2012-06-20 CN disclosed
US-8173811-B2 Apoptosis promoters ABBOTT LABORATORIES (US) 2012-05-08 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
CN-1906183-A N-acylsulfonamide apoptosis promoters ABBOTT LAB (US) 2007-01-31 CN 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
EP-1685119-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS Abbott Laboratories (US) 2006-08-02 EP 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
WO-2005049593-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2005-06-02 WO disclosed
WO-2005049594-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2005-06-02 WO 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 (7 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 HTR7 2871/4885DRD4 4177/4885DRD3 4741/4885
US-20130190488-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 HTR7 2871/4885DRD4 4177/4885DRD3 4741/4885
US-20070015787-A1 Apoptosis promoters BAX, BCL2, API5 HTR7 2871/4885DRD4 4177/4885DRD3 4741/4885
US-20060258657-A1 Apoptosis promoters BAX, BCL2, API5 HTR7 2871/4885DRD4 4177/4885DRD3 4741/4885
US-20050159427-A1 N-acylsulfonamide apoptosis promoters BAX, API5, CCAR2 HTR7 3227/4885DRD4 4545/4885DRD3 4777/4885
US-20140187531-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 HTR7 2871/4885DRD4 4177/4885DRD3 4741/4885
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 HTR7 3514/4885DRD4 4360/4885DRD3 4628/4885

“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.