SCHEMBL1689679

SCHEMBL1689679

Cc1c(I)c(=O)n(C)c(=O)n1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 1/20 0.36
LMNA P02545 2/20 0.35
ADORA2A P29274 2/20 0.34
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
KDM4E B2RXH2 2/20 0.33
JAK2 O60674 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
PAX8 Q06710 1/20 0.33
PIK3CD O00329 1/20 0.32
POLB P06746 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CNR1 P21554 1/20 0.32
ACHE P22303 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
NTSR1 P30989 1/20 0.32
MC3R P41968 1/20 0.32

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
SCHEMBL16121001 0.77 ADORA2A (0.35) LGMNADORA2AKMT2ARXFP1KDM4E
SCHEMBL13024710 0.74 ATAD2 (0.39) LGMNLMNAADORA2AKDM4EJAK2
SCHEMBL13024384 0.74 ADORA2A (0.41) LGMNLMNAADORA2AKDM4EJAK2
SCHEMBL17242241 0.73 KMT2A (0.39) LGMNLMNAADORA2AKMT2ARXFP1
SCHEMBL21027734 0.73 MAPT (0.43) LMNAADORA2AKMT2AKDM4EALDH1A1
SCHEMBL12169061 0.70 ADORA2A (0.36) LGMNLMNAADORA2ARXFP1KDM4E
SCHEMBL480553 0.70 ATAD2 (0.39) LGMNLMNAADORA2AKMT2AKDM4E
SCHEMBL480656 0.69 KDM4E (0.53) LMNAKMT2AKDM4EALDH1A1HTT
SCHEMBL14803801 0.67 LMNA (0.43) LGMNLMNAADORA2AKMT2ARXFP1
SCHEMBL13435346 0.67 KMT2A (0.38) LGMNLMNAADORA2AKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023125182-A1 PROPIONIC ACID DERIVATIVE AND MEDICAL USE THEREOF 海思科医药集团股份有限公司 2023-07-06 WO disclosed
US-11491178-B2 Chitosan covalently linked with small molecule integrin antagonist for targeted delivery HOFFMANN-LA ROCHE, INC. (US) 2022-11-08 US disclosed
CN-109053723-B Sulfonamide derivatives and pharmaceutical use thereof EA制药株式会社 2021-09-03 CN disclosed
EP-2806898-B1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING VLA-4 HOFFMANN LA ROCHE (CH) 2018-07-18 EP disclosed
EP-2806898-B1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING VLA-4 HOFFMANN LA ROCHE (CH) 2018-07-18 EP disclosed
US-20180099005-A1 CHITOSAN COVALENTLY LINKED WITH SMALL MOLECULE INTEGRIN ANTAGONIST FOR TARGETED DELIVERY HOFFMANN-LA ROCHE, INC. 2018-04-12 US disclosed
US-20180099005-A1 CHITOSAN COVALENTLY LINKED WITH SMALL MOLECULE INTEGRIN ANTAGONIST FOR TARGETED DELIVERY HOFFMANN-LA ROCHE, INC. 2018-04-12 US disclosed
US-20180099005-A1 CHITOSAN COVALENTLY LINKED WITH SMALL MOLECULE INTEGRIN ANTAGONIST FOR TARGETED DELIVERY HOFFMANN-LA ROCHE, INC. 2018-04-12 US disclosed
EP-2806896-B1 CHITOSAN COVALENTLY LINKED WITH SMALL MOLECULE INTEGRIN ANTAGONIST FOR TARGETED DELIVERY HOFFMANN LA ROCHE (CH) 2018-01-03 EP disclosed
US-9822110-B2 Sulfonamide derivative and pharmaceutical use thereof EA PHARMA CO., LTD. (JP) 2017-11-21 US disclosed
US-20130079383-A1 Lipid Compounds Targeting VLA-4 ARROWHEAD RESEARCH CORPORATION (US) 2013-03-28 US disclosed
US-8093385-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-01-10 US disclosed
EP-2190808-A1 LEUKOTRIENE B4 INHIBITORS F. Hoffmann-Roche AG (CH) 2010-06-02 EP disclosed
WO-2009024492-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-26 WO disclosed
US-20090054466-A1 Leukotriene B4 Inhibitors DOMINIQUE ROMYR 2009-02-26 US disclosed
EP-1237878-B1 4-PYRIMIDINYL-N-ACYL-L-PHENYLALANINES HOFFMANN LA ROCHE (CH) 2007-03-21 EP disclosed
EP-1237878-B1 4-PYRIMIDINYL-N-ACYL-L-PHENYLALANINES HOFFMANN LA ROCHE (CH) 2007-03-21 EP disclosed
EP-1237878-A2 4-PYRIMIDINYL-N-ACYL-L-PHENYLALANINES F. HOFFMANN-LA ROCHE AG (CH) 2002-09-11 EP disclosed
US-6380387-B1 ANTIINFLAMMATORY AGENTS, ANTIASTHMATICS HOFFMANN-LA ROCHE INC. 2002-04-30 US disclosed
WO-2001042225-A2 4-PYRIMIDINYL-N-ACYL-L-PHENYLALANINES F. HOFFMANN-LA ROCHE AG (CH) 2001-06-14 WO 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 (4 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-20180099005-A1 CHITOSAN COVALENTLY LINKED WITH SMALL MOLECULE INTEGRIN ANTAGONIST FOR TARGETED DELIVERY ITGB1, ITGA4, ITGB4 LGMN 4013/4885LMNA 1251/4885ADORA2A 1911/4885
US-20090054466-A1 Leukotriene B4 Inhibitors LTB4R2, LTB4R, LTC4S LGMN 2329/4885LMNA 1300/4885ADORA2A 1218/4885
US-11491178-B2 Chitosan covalently linked with small molecule integrin antagonist for targeted delivery ITGB1, ITGA4, ITGB4 LGMN 4013/4885LMNA 1251/4885ADORA2A 1911/4885
US-20130079383-A1 Lipid Compounds Targeting VLA-4 LPAR4, ASGR1, VCAM1 LGMN 2711/4885LMNA 218/4885ADORA2A 2138/4885

“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.