SCHEMBL5089029

SCHEMBL5089029

N#Cc1ccc(CBr)c(I)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.42
ALB P02768 1/20 0.42
CA12 O43570 2/20 0.37
CA9 Q16790 2/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
CA6 P23280 1/20 0.37
CA14 Q9ULX7 1/20 0.37
GSK3B P49841 2/20 0.36
CYP2A6 P11509 3/20 0.33
LOXL2 Q9Y4K0 2/20 0.33
MMP3 P08254 1/20 0.33
IMPDH2 P12268 1/20 0.32
IMPDH1 P20839 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP19A1 P11511 1/20 0.31
HTR2A P28223 1/20 0.31
KCNH2 Q12809 1/20 0.31
BACE1 P56817 1/20 0.31

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
SCHEMBL31757842 0.85 MMP3 (0.46) CA12CA9CA2CA3CA6
SCHEMBL27577154 0.85 TTR (0.39) TTRALBCA12CA9CA2
SCHEMBL30529523 0.84 TTR (0.38) TTRALBCA12CA9CA2
SCHEMBL21383715 0.84 TTR (0.38) TTRALBCA12CA9CA2
SCHEMBL3872780 0.81 GSK3B (0.39) CA12CA9CA2CA3CA6
SCHEMBL6483113 0.80 LOXL2 (0.47) TTRALBCA12CA9CA2
SCHEMBL27176926 0.80 TTR (0.47) TTRALBCA12CA9CA2
Hydrochloric Acid SCHEMBL6475550 0.78 LOXL2 (0.45) TTRALBCA12CA9CA2
SCHEMBL29529580 0.78 MEN1 (0.43) TTRALBCA12CA9CA2
SCHEMBL409734 0.78 MEN1 (0.43) TTRALBCA12CA9CA2

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4615573-A1 GLUCAGON-LIKE PEPTIDE 1 RECEPTOR AGONISTS Eli Lilly and Company (US) 2025-09-17 EP disclosed
US-20240343740-A1 MACROCYCLIC GLUCAGON-LIKE PEPTIDE 1 RECEPTOR AGONISTS ELI LILLY AND COMPANY 2024-10-17 US disclosed
WO-2024102625-A1 GLUCAGON-LIKE PEPTIDE 1 RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2024-05-16 WO disclosed
EP-4341255-A1 MACROCYCLIC GLUCAGON-LIKE PEPTIDE 1 RECEPTOR AGONISTS Eli Lilly and Company (US) 2024-03-27 EP disclosed
CN-117355517-A Macrocyclic glucagon-like peptide 1 receptor agonists 伊莱利利公司 2024-01-05 CN disclosed
US-20230234973-A1 INTERMEDIATE, PREPARING METHOD THEREOF, AND METHOD OF PREPARING DRUG HERON NEUTRON MEDICAL CORP. (TW) 2023-07-27 US disclosed
WO-2022246019-A1 MACROCYCLIC GLUCAGON-LIKE PEPTIDE 1 RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2022-11-24 WO disclosed
US-7323570-B2 Farnesyltransferase inhibitors ABBOTT LABORATORIES (US) 2008-01-29 US disclosed
US-7211595-B2 Farnesyltransferase inhibitors ABBOTT LABORATORIES (US) 2007-05-01 US disclosed
US-20060264476-A1 Farnesyltransferase Inhibitors ABBVIE INC. 2006-11-23 US disclosed
EP-1339695-B1 FARNESYLTRANSFERASE INHIBITORS ABBOTT LAB (US) 2006-04-19 EP disclosed
US-6900319-B2 Thrombin inhibitors ABBOTT GMBH & CO. KG (DE) 2005-05-31 US disclosed
US-20030087940-A1 Farnesyltransferase inhibitors ABBVIE INC. 2003-05-08 US disclosed
US-20020169318-A1 Novel thrombin inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2002-11-14 US disclosed
US-6444817-B1 ANTICOAGULANTS ABBOTT LABORATORIES 2002-09-03 US disclosed
US-20020115640-A1 Such as 4-(((6-chloro-2-(3-chlorophenyl)-3-pyridinyl) methoxy)(1-methyl-1H-imidazol-5-yl)methyl)benzonitrile; anticancer agents ABBOTT LABORATORIES 2002-08-22 US disclosed
US-6030972-A 2- OR 5-AMINOMETHYL,2- OR 5-CYANOPYRIMIDINES AS INTERMEDIATES OF ANTICOAGULANTS IN EXTRACORPOREAL CIRCULATION (HEART-LUNG MACHINE, HEMODIALYSIS) BASF AKTIENGESELLSCHAFT (DE) 2000-02-29 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 (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-20240343740-A1 MACROCYCLIC GLUCAGON-LIKE PEPTIDE 1 RECEPTOR AGONISTS GLP1R, GCGR, GIPR TTR 1644/4885ALB 778/4885CA12 1486/4885
US-20230234973-A1 INTERMEDIATE, PREPARING METHOD THEREOF, AND METHOD OF PREPARING DRUG CYP2F1, SULT1A1, CYP4F3 TTR 2481/4885ALB 2053/4885CA12 2868/4885
US-20020115640-A1 Such as 4-(((6-chloro-2-(3-chlorophenyl)-3-pyridinyl) methoxy)(1-methyl-1H-imidazol-5-yl)methyl)benzonitrile; anticancer agents FNTB, FNTA, ACAT2 TTR 1475/4885ALB 3536/4885CA12 4558/4885
US-20060264476-A1 Farnesyltransferase Inhibitors FNTB, FNTA, FDPS TTR 764/4885ALB 3091/4885CA12 4064/4885
US-20030087940-A1 Farnesyltransferase inhibitors FNTB, FNTA, FDPS TTR 988/4885ALB 3659/4885CA12 4050/4885
US-20020169318-A1 Novel thrombin inhibitors TFPI, SERPINC1, F11 TTR 1082/4885ALB 3605/4885CA12 2808/4885

“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.