SCHEMBL43301

SCHEMBL43301

NC(Cc1ccccc1Br)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.58
PKM P14618 2/20 0.58
ALPI P09923 1/20 0.58
PTGS1 P23219 1/20 0.58
XIAP P98170 1/20 0.58
NOS3 P29474 3/20 0.57
NOS1 P29475 3/20 0.57
NOS2 P35228 3/20 0.57
MAPT P10636 3/20 0.51
KDM4E B2RXH2 2/20 0.51
MEN1 O00255 2/20 0.51
LMNA P02545 2/20 0.51
BLM P54132 2/20 0.51
PMP22 Q01453 2/20 0.51
KMT2A Q03164 2/20 0.51
HIF1A Q16665 2/20 0.51
MPO P05164 1/20 0.51
TSHR P16473 1/20 0.51
PPARG P37231 1/20 0.50
PPARA Q07869 1/20 0.50

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
SCHEMBL29400473 1.00 SLC7A5 (0.58) SLC7A5PKMALPIPTGS1XIAP
SCHEMBL43302 1.00 SLC7A5 (0.58) SLC7A5PKMALPIPTGS1XIAP
SCHEMBL1250588 1.00 SLC7A5 (0.58) SLC7A5PKMALPIPTGS1XIAP
SCHEMBL13971424 0.86 SLC7A5 (0.69) SLC7A5PKMALPIPTGS1XIAP
SCHEMBL9164980 0.86 SLC7A5 (0.69) SLC7A5PKMALPIPTGS1XIAP
SCHEMBL5301987 0.86 NOS3 (0.50) SLC7A5PKMALPIPTGS1XIAP
SCHEMBL2152873 0.85 NOS3 (0.45) SLC7A5PKMALPIPTGS1XIAP
SCHEMBL2152875 0.85 NOS3 (0.45) SLC7A5PKMALPIPTGS1XIAP
Hydrochloric Acid SCHEMBL9169793 0.84 SLC7A5 (0.67) SLC7A5PKMALPIPTGS1XIAP
SCHEMBL22289236 0.83 NOS3 (0.48) SLC7A5PKMALPIPTGS1XIAP

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 1250 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12454512-B2 Processes and intermediates for the preparation of 2-(2,6-dichlorophenyl)-1-[(1S,3R)-3-(hydroxymethyl)-5-(3-hydroxy-3-methylbutyl)-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]ethenone ELI LILLY AND COMPANY (US) 2025-10-28 US claimed
CN-118767648-A System for storing carbon dioxide, application and carbon dioxide storage and transportation method 中国石油化工股份有限公司 2024-10-15 CN claimed
US-20230303647-A1 CYCLIC CHEMERIN-9 DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2023-09-28 US claimed
EP-3986867-B1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF 2-(2,6-DICHLOROPHENYL)-1-[(1S,3R)-3-(HYDROXYMETHYL)-5-(3-HYDROXY-3-METHYLBUTYL)-1-METHYL-3,4-DIHYDROISOQUINOLIN-2(1H)-YL]ETHENONE LILLY CO ELI (US) 2023-09-13 EP claimed
CN-116390742-A Cyclic chemokine-9 derivatives 拜耳公司 2023-07-04 CN claimed
EP-4196143-A1 CYCLIC CHEMERIN-9 DERIVATIVES Bayer Aktiengesellschaft (DE) 2023-06-21 EP claimed
US-20220242826-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF 2-(2,6-DICHLOROPHENYL)-1-[(1S,3R)-3-(HYDROXYMETHYL)-5-(3-HYDROXY-3-METHYLBUTYL)-1-METHYL-3,4-DIHYDROISOQUINOLIN-2(1H)-YL]ETHENONE ELI LILLY AND COMPANY 2022-08-04 US claimed
WO-2022034057-A1 CYCLIC CHEMERIN-9 DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2022-02-17 WO claimed
CN-113993849-A Processes and intermediates for the preparation of 2- (2, 6-dichlorophenyl) -1- [ (1S,3R) -3- (hydroxymethyl) -5- (3-hydroxy-3-methylbutyl) -1-methyl-3, 4-dihydroisoquinolin-2 (1H) -yl ] ketene 伊莱利利公司 2022-01-28 CN claimed
US-20150299286-A1 GLUTAMIC ACID-STABILIZED INSULIN ANALOGUES NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR NIH 2015-10-22 US claimed
US-20090081669-A1 Fluorescent Assays Using Orthogonal tRNA - Aminoacyl Synthetase Pairs ENCODE BIO, INC. (US) 2009-03-26 US claimed
WO-2008031016-A2 HETEROCYCLIC LIGANDS FOR INTEGRIN IMAGING AND THERAPY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-03-13 WO claimed
WO-2007090198-A2 FLUORESCENT ASSAYS USING ORTHOGONAL TRNA - AMINOACYL SYNTHETASE PAIRS ENCODE BIO, INC. (US) 2007-08-09 WO claimed
US-20070178554-A1 Orthogonal Aminoacyl Synthetase-tRNA Pairs for Incorporating Unnatural Amino Acids Into Proteins NEURION PHARMACEUTICALS, INC. 2007-08-02 US claimed
WO-2006039717-A2 METHODS OF DETERMINING PRECISE HERG INTERACTIONS AND ALTERING COMPOUNDS BASED ON SAID INTERACTIONS NEURION PHARMACEUTICALS, INC. (US) 2006-04-13 WO claimed
WO-2005122379-A9 ALPHA-4 BETA-1 INTEGRIN LIGANDS FOR IMAGING AND THERAPY UNIV CALIFORNIA (US) 2006-03-09 WO claimed
US-20060019900-A1 Alpha-4 beta-1 integrin ligands for imaging and therapy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-01-26 US claimed
US-20060014159-A1 Methods of determining precise HERG interactions and designing compounds based on said interactions NEURION PHARMACEUTICALS, INC. (US) 2006-01-19 US claimed
WO-2005122379-A2 ALPHA-4 BETA-1 INTEGRIN LIGANDS FOR IMAGING AND THERAPY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-12-22 WO claimed
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20060019900-A1 Alpha-4 beta-1 integrin ligands for imaging and therapy ITGA4, ITGB4, ITGA1 SLC7A5 576/4885PKM 4240/4885ALPI 3006/4885
US-12454512-B2 Processes and intermediates for the preparation of 2-(2,6-dichlorophenyl)-1-[(1S,3R)-3-(hydroxymethyl)-5-(3-hydroxy-3-methylbutyl)-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]ethenone PAM, TLR1, TLR2 SLC7A5 4519/4885PKM 415/4885ALPI 2615/4885
US-20060014159-A1 Methods of determining precise HERG interactions and designing compounds based on said interactions KCNN4, KCNC1, HCN4 SLC7A5 810/4885PKM 4079/4885ALPI 4428/4885
US-20230303647-A1 CYCLIC CHEMERIN-9 DERIVATIVES CMKLR1, CMKLR2, CCL2 SLC7A5 3537/4885PKM 3023/4885ALPI 2013/4885
US-20070178554-A1 Orthogonal Aminoacyl Synthetase-tRNA Pairs for Incorporating Unnatural Amino Acids Into Proteins AARS1, GARS1, TRMT1 SLC7A5 171/4885PKM 3856/4885ALPI 2899/4885
US-20220242826-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF 2-(2,6-DICHLOROPHENYL)-1-[(1S,3R)-3-(HYDROXYMETHYL)-5-(3-HYDROXY-3-METHYLBUTYL)-1-METHYL-3,4-DIHYDROISOQUINOLIN-2(1H)-YL]ETHENONE PAM, TLR1, TLR2 SLC7A5 4519/4885PKM 415/4885ALPI 2615/4885

“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.