SCHEMBL1540331

SCHEMBL1540331

[NH][C@@H](CSc1ccccc1)CC(=O)NC1CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.55
NPC1 O15118 4/20 0.55
KMT2A Q03164 4/20 0.55
HPGD P15428 3/20 0.53
TSHR P16473 2/20 0.53
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.43
EPHX2 P34913 1/20 0.42
MTNR1A P48039 3/20 0.41
MTNR1B P49286 3/20 0.41
MEN1 O00255 1/20 0.41
MITF O75030 1/20 0.41
ALDH1A1 P00352 1/20 0.40
KDM1A O60341 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAOB P27338 1/20 0.40
FFAR1 O14842 1/20 0.40

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
SCHEMBL1539946 0.95 RAB9A (0.59) RAB9ANPC1KMT2AHPGDTSHR
SCHEMBL1540334 0.83 KMT2A (0.55) RAB9ANPC1KMT2AHPGDTSHR
SCHEMBL1540157 0.80 MTNR1A (0.49) CYP3A4CYP2C19MTNR1AMTNR1BALDH1A1
SCHEMBL1539947 0.78 RAB9A (0.59) RAB9ANPC1KMT2AHPGDTSHR
SCHEMBL12931693 0.77 KMT2A (0.85) RAB9ANPC1KMT2AHPGDTSHR
SCHEMBL1541345 0.76 MAPT (0.54) RAB9ANPC1KMT2AHPGDCYP3A4
SCHEMBL1540191 0.74 FFAR1 (0.48) RAB9ANPC1KMT2ACYP3A4CYP2C19
SCHEMBL2751329 0.72 KMT2A (0.97) RAB9ANPC1KMT2AHPGDTSHR
SCHEMBL12931704 0.72 KMT2A (0.91) RAB9ANPC1KMT2AHPGDTSHR
SCHEMBL1540430 0.71 MTNR1A (0.47) KMT2ATSHRCYP3A4CYP2C19MTNR1A

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 RAB9A 4345/4885NPC1 2977/4885KMT2A 4140/4885
US-20130190488-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 RAB9A 4345/4885NPC1 2977/4885KMT2A 4140/4885
US-20070015787-A1 Apoptosis promoters BAX, BCL2, API5 RAB9A 4345/4885NPC1 2977/4885KMT2A 4140/4885
US-20060258657-A1 Apoptosis promoters BAX, BCL2, API5 RAB9A 4345/4885NPC1 2977/4885KMT2A 4140/4885
US-20100022773-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 RAB9A 4345/4885NPC1 2977/4885KMT2A 4140/4885
US-20050159427-A1 N-acylsulfonamide apoptosis promoters BAX, API5, CCAR2 RAB9A 3654/4885NPC1 2502/4885KMT2A 3521/4885
US-20100240715-A1 Apoptosis promoters BAX, BCL2, API5 RAB9A 4345/4885NPC1 2977/4885KMT2A 4140/4885
US-20140187531-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 RAB9A 4345/4885NPC1 2977/4885KMT2A 4140/4885
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 RAB9A 3670/4885NPC1 4257/4885KMT2A 2464/4885

“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.