SCHEMBL1541402

SCHEMBL1541402

N#Cc1ccccc1-c1ccc(Cl)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.66
PTPN5 P54829 1/20 0.50
CNR1 P21554 5/20 0.47
CNR2 P34972 4/20 0.47
ADORA2A P29274 2/20 0.45
ADORA1 P30542 2/20 0.45
TRPA1 O75762 1/20 0.45
CYP1A2 P05177 1/20 0.44
HSD17B3 P37058 1/20 0.44
LRRK2 Q5S007 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
PTGS2 P35354 2/20 0.43
FPR1 P21462 1/20 0.43
FPR2 P25090 1/20 0.43
PTGS1 P23219 1/20 0.43

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
Hydrochloric Acid SCHEMBL28455839 0.98 ESR2 (0.63) ESR2PTPN5CNR1CNR2ADORA2A
SCHEMBL31410710 0.87 ESR2 (0.76) ESR2PTPN5TRPA1CYP1A2GABRG2
SCHEMBL3520118 0.84 ESR2 (0.49) ESR2PTPN5CNR1CNR2ADORA2A
Hydrochloric Acid SCHEMBL4082919 0.83 ESR2 (0.47) ESR2PTPN5CNR1CNR2ADORA2A
SCHEMBL2016996 0.83 ESR2 (0.70) ESR2PTPN5CNR2TRPA1CYP1A2
SCHEMBL3954416 0.83 CYP1A2 (0.48) ESR2ADORA2AADORA1CYP1A2PTGS2
SCHEMBL23624362 0.82 ESR2 (0.46) ESR2CNR1CNR2ADORA2AADORA1
SCHEMBL29662886 0.82 ESR2 (0.69) ESR2PTPN5TRPA1CYP1A2LRRK2
SCHEMBL223 0.82 ESR2 (0.69) ESR2PTPN5TRPA1CYP1A2LRRK2
SCHEMBL27895577 0.82 ESR2 (0.69) ESR2PTPN5TRPA1CYP1A2GABRG2

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
CN-109665990-B Boscalid synthesis process 安徽赛乐普制药有限公司 2020-08-28 CN claimed
CN-110494442-B Peptide macrocycles and their use in the treatment of bacterial infections 豪夫迈·罗氏有限公司 2023-07-25 CN disclosed
US-20230167097-A1 HETEROCYCLIC COMPOUND HAVING CYANO-SUBSTITUTION Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-06-01 US disclosed
US-20230167097-A1 HETEROCYCLIC COMPOUND HAVING CYANO-SUBSTITUTION Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-06-01 US disclosed
CN-109665990-B Boscalid synthesis process 安徽赛乐普制药有限公司 2020-08-28 CN disclosed
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
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 ESR2 876/4885PTPN5 3930/4885CNR1 4654/4885
US-20070015787-A1 Apoptosis promoters BAX, BCL2, API5 ESR2 876/4885PTPN5 3930/4885CNR1 4654/4885
US-20060258657-A1 Apoptosis promoters BAX, BCL2, API5 ESR2 876/4885PTPN5 3930/4885CNR1 4654/4885
US-20100022773-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 ESR2 876/4885PTPN5 3930/4885CNR1 4654/4885
US-20050159427-A1 N-acylsulfonamide apoptosis promoters BAX, API5, CCAR2 ESR2 2390/4885PTPN5 3815/4885CNR1 4444/4885
US-20100240715-A1 Apoptosis promoters BAX, BCL2, API5 ESR2 876/4885PTPN5 3930/4885CNR1 4654/4885
US-20140187531-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 ESR2 876/4885PTPN5 3930/4885CNR1 4654/4885
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 ESR2 2782/4885PTPN5 1465/4885CNR1 1945/4885
US-20230167097-A1 HETEROCYCLIC COMPOUND HAVING CYANO-SUBSTITUTION KCNH1, MCM4, MCM2 ESR2 1501/4885PTPN5 4253/4885CNR1 818/4885

“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.