SCHEMBL1541049

SCHEMBL1541049

CN(CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-])CC(=O)N(C)C

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.90
HDAC4 P56524 5/20 0.90
HDAC1 Q13547 5/20 0.90
HDAC7 Q8WUI4 5/20 0.90
HDAC2 Q92769 5/20 0.90
HDAC10 Q969S8 5/20 0.90
HDAC11 Q96DB2 5/20 0.90
HDAC8 Q9BY41 5/20 0.90
HDAC6 Q9UBN7 5/20 0.90
HDAC9 Q9UKV0 5/20 0.90
HDAC5 Q9UQL6 5/20 0.90
BCL2L1 Q07817 14/20 0.88
BCL2 P10415 9/20 0.88
MDM4 O15151 1/20 0.88
BCL2L11 O43521 1/20 0.88
TP53 P04637 1/20 0.88
BID P55957 1/20 0.88
BAX Q07812 1/20 0.88
MCL1 Q07820 1/20 0.88
ASPH Q12797 1/20 0.88

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
SCHEMBL3955717 0.96 HDAC3 (0.92) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1540348 0.96 HDAC3 (0.92) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4903512 0.96 HDAC3 (0.92) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4740327 0.95 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4740332 0.95 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14067155 0.94 HDAC3 (0.89) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1540180 0.94 BCL2L1 (0.90) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4892842 0.94 HDAC3 (0.93) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3957570 0.94 HDAC3 (0.93) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19503787 0.94 BCL2L1 (0.89) HDAC3HDAC4HDAC1HDAC7HDAC2

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 35 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 claimed
US-8354404-B2 Apoptosis promoters ABBOTT LABORATORIES (US) 2013-01-15 US claimed
US-20110256129-A1 APOPTOSIS PROMOTERS ABBOTT LABORATORIES 2011-10-20 US claimed
US-10195213-B2 Chemical entities that kill senescent cells for use in treating age-related disease UNITY BIOTECHNOLOGY, INC. (US) 2019-02-05 US disclosed
US-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES UNITY BIOTECHNOLOGY, INC. 2017-10-05 US disclosed
EP-3048098-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS AbbVie Bahamas Limited (BS) 2016-07-27 EP disclosed
US-20160175316-A1 METHOD OF PREVENTING OR TREATING ORGAN, HEMATOPOIETIC STEM CELL OR BONE MARROW TRANSPLANT REJECTION ABBVIE INC (US) 2016-06-23 US disclosed
US-20160101109-A1 METHOD OF TREATING ARTHRITIS ABBVIE INC. 2016-04-14 US 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
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-20090176785-A1 METHOD OF TREATING ARTHRITIS ABBOTT LABORATORIES (US) 2009-07-09 US disclosed
US-20080182845-A1 METHOD OF PREVENTING OR TREATING ORGAN, HEMATOPOIETIC STEM CELL OR BONE MARROW TRANSPLANT REJECTION ABBOTT LABORATORIES (US) 2008-07-31 US disclosed
US-20080076779-A1 Reducing platelets in mammals blood and preventing/treating pro-thrombotic conditions and diseases via inhibitors of anti-apoptotic Bcl-2 family protein members ABBVIE INC. 2008-03-27 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 (14 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-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES TP53, NQO1, SHMT2 HDAC3 623/4885HDAC4 501/4885HDAC1 382/4885
US-20060128706-A1 Apoptosis promoters BAX, BCL2, API5 HDAC3 738/4885HDAC4 689/4885HDAC1 263/4885
US-20070015787-A1 Apoptosis promoters BAX, BCL2, API5 HDAC3 738/4885HDAC4 689/4885HDAC1 263/4885
US-20160101109-A1 METHOD OF TREATING ARTHRITIS MMP1, COL2A1, MMP13 HDAC3 850/4885HDAC4 763/4885HDAC1 1959/4885
US-20060258657-A1 Apoptosis promoters BAX, BCL2, API5 HDAC3 738/4885HDAC4 689/4885HDAC1 263/4885
US-20050159427-A1 N-acylsulfonamide apoptosis promoters BAX, API5, CCAR2 HDAC3 229/4885HDAC4 234/4885HDAC1 101/4885
US-20080076779-A1 Reducing platelets in mammals blood and preventing/treating pro-thrombotic conditions and diseases via inhibitors of anti-apoptotic Bcl-2 family protein members BCL2, BAX, BCLAF1 HDAC3 1632/4885HDAC4 2852/4885HDAC1 2022/4885
US-20090176785-A1 METHOD OF TREATING ARTHRITIS MMP1, COL2A1, MMP13 HDAC3 850/4885HDAC4 763/4885HDAC1 1959/4885
US-10195213-B2 Chemical entities that kill senescent cells for use in treating age-related disease TP53, CDKN1A, GLA HDAC3 961/4885HDAC4 648/4885HDAC1 654/4885
US-20140187531-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 HDAC3 738/4885HDAC4 689/4885HDAC1 263/4885
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 HDAC3 503/4885HDAC4 739/4885HDAC1 224/4885
US-20080182845-A1 METHOD OF PREVENTING OR TREATING ORGAN, HEMATOPOIETIC STEM CELL OR BONE MARROW TRANSPLANT REJECTION BST2, HLA-C, HLA-B HDAC3 950/4885HDAC4 821/4885HDAC1 1130/4885
US-20160175316-A1 METHOD OF PREVENTING OR TREATING ORGAN, HEMATOPOIETIC STEM CELL OR BONE MARROW TRANSPLANT REJECTION BST2, HLA-C, HLA-B HDAC3 950/4885HDAC4 821/4885HDAC1 1130/4885
US-20110256129-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 HDAC3 738/4885HDAC4 689/4885HDAC1 263/4885

“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.