SCHEMBL2585788

SCHEMBL2585788

O=C(ON1C(=O)CCC1=O)c1ccc2ccccc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.54
MGAM O43451 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
CNR2 P34972 2/20 0.46
HDAC8 Q9BY41 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 5/20 0.46
ALDH1A1 P00352 5/20 0.46
GAA P10253 3/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TSHR P16473 2/20 0.44
NFKB1 P19838 2/20 0.43
RAB9A P51151 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 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
SCHEMBL9310833 0.79 PIM1 (0.56) KDM4EALDH1A1GAAKMT2A
SCHEMBL16261005 0.79 NPC1 (0.50) SMN1; SMN2MAPTKMT2AMAPK1NFKB1
SCHEMBL15316356 0.78 RECQL (0.47) KDM4EMAPTALDH1A1KMT2ARAB9A
SCHEMBL3143334 0.78 KDM4E (0.44) KDM4ESMN1; SMN2L3MBTL1MAPTALDH1A1
SCHEMBL28811993 0.77 KDM4E (0.40) KDM4ESMN1; SMN2L3MBTL1MAPTALDH1A1
SCHEMBL3954441 0.76 MGAM (0.66) KDM4EMGAMSMN1; SMN2CNR2HDAC8
SCHEMBL5279917 0.75 DPP4 (0.39) KMT2A
Acridine SCHEMBL7872845 0.75 ALDH1A1 (0.46) KDM4EMGAML3MBTL1MAPTALDH1A1
Quinaldic Acid SCHEMBL2577620 0.75 MGAM (0.70) KDM4EMGAMSMN1; SMN2CNR2HDAC8
SCHEMBL5176927 0.74 MGAM (0.63) KDM4EMGAMSMN1; SMN2CNR2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1461319-B1 QUINOLINE DERIVATIVES, SYNTHESIS METHOD, AND MEDICINES CONTAINING SAID DERIVATIVES BIOALLIANCE PHARMA (FR) 2009-04-29 EP claimed
US-7064133-B2 Quinoline derivatives process of synthesis and medicaments containing these derivatives BIOALLIANCE PHARMA (FR) 2006-06-20 US claimed
US-20040259911-A1 Quinoline derivatives process of synthesis and medicaments containing these derivatives INSTITUT GUSTAVE ROUSSY (FR) 2004-12-23 US claimed
WO-2023129737-A1 GLYCOMIMETIC LIGANDS AVICEDA THERAPEUTICS, INC. (US) 2023-07-06 WO disclosed
US-RE43802-E1 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2012-11-13 US disclosed
US-RE43596-E1 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2012-08-21 US disclosed
US-RE42889-E1 α- and β- amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2011-11-01 US disclosed
US-7829564-B2 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2010-11-09 US disclosed
US-7531538-B2 α- and β-Amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2009-05-12 US disclosed
US-20090023664-A1 ALPHA- AND BETA-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE LLC (US) 2009-01-22 US disclosed
US-7320983-B2 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2008-01-22 US disclosed
EP-0554400-A1 RETROVIRAL PROTEASE INHIBITORS. MONSANTO CO (US) 1993-08-11 EP disclosed
US-5196438-A Viricides; e.g. N-tert.butyl-decahydro-2-(2(R)-hydroxy-4-phenyl-3(S)-((N-(2 -quinolylcarbonyl)-L-asparaginyl)amino)butyl)-(4aS,8aS)-isoquinoline-3(S) -carboxamide; saquinavir and salts HOFFMANN-LA ROCHE INC. (US) 1993-03-23 US disclosed
EP-0512343-A2 Amino acid derivatives and their use as anti-viral agents F. HOFFMANN-LA ROCHE AG (CH) 1992-11-11 EP disclosed
WO-1992008701-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
WO-1992008700-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
WO-1992008698-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
WO-1992008699-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
WO-1992008688-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
EP-0432695-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1991-06-19 EP 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 (2 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-20090023664-A1 ALPHA- AND BETA-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS DNPEP, ASPH, PREP KDM4E 2919/4885MGAM 272/4885SMN1; SMN2 2396/4885
US-20040259911-A1 Quinoline derivatives process of synthesis and medicaments containing these derivatives RCOR1, RCOR3, BCOR KDM4E 945/4885MGAM 2887/4885SMN1; SMN2 3558/4885

“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.