SCHEMBL2084891

SCHEMBL2084891

O=[N+]([O-])c1ccc2nc(O)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.53
TXNRD1 Q16881 1/20 0.51
TXNRD3 Q86VQ6 1/20 0.51
TXNRD2 Q9NNW7 1/20 0.51
ALDH1A1 P00352 5/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
HTR3E A5X5Y0 1/20 0.51
HTR3B O95264 1/20 0.51
SLC6A4 P31645 1/20 0.51
CYP2C19 P33261 1/20 0.51
THPO P40225 1/20 0.51
HTR3A P46098 1/20 0.51
HTR3D Q70Z44 1/20 0.51
HTR3C Q8WXA8 1/20 0.51
MAPT P10636 1/20 0.49
GUCY1B2 O75343 1/20 0.48
GUCY1A2 P33402 1/20 0.48
GUCY1A1 Q02108 1/20 0.48
GUCY1B1 Q02153 1/20 0.48

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
SCHEMBL28753879 0.89 MAPT (0.51) TXNRD1TXNRD3TXNRD2ALDH1A1CYP1A2
SCHEMBL27619441 0.79 ALDH1A1 (0.51) TTRTXNRD1TXNRD3TXNRD2ALDH1A1
SCHEMBL31067258 0.79 ALDH1A1 (0.51) TTRTXNRD1TXNRD3TXNRD2ALDH1A1
SCHEMBL646725 0.79 TTR (0.53) TTRTXNRD1TXNRD3TXNRD2ALDH1A1
SCHEMBL29659762 0.79 ALDH1A1 (0.51) TTRTXNRD1TXNRD3TXNRD2ALDH1A1
SCHEMBL1438861 0.79 PLAU (0.53) TTRTXNRD1TXNRD3TXNRD2ALDH1A1
SCHEMBL16289020 0.79 ALDH1A1 (0.51) TTRTXNRD1TXNRD3TXNRD2ALDH1A1
SCHEMBL516896 0.79 ALDH1A1 (0.51) TTRTXNRD1TXNRD3TXNRD2ALDH1A1
SCHEMBL28234952 0.79 ALDH1A1 (0.51) TTRTXNRD1TXNRD3TXNRD2ALDH1A1
SCHEMBL8541741 0.78 ALDH1A1 (0.58) TTRALDH1A1CYP1A2CYP3A4HTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118791426-A (R) -glutarimide CRBN ligands and methods of use 百济神州有限公司 2024-10-18 CN disclosed
US-20240207267-A1 (R)-Glutarimide CRBN Ligands and Methods of Use BEIGENE SWITZERLAND GMBH (CH) 2024-06-27 US disclosed
US-20240207267-A1 (R)-Glutarimide CRBN Ligands and Methods of Use BEIGENE SWITZERLAND GMBH (CH) 2024-06-27 US disclosed
US-20240207267-A1 (R)-Glutarimide CRBN Ligands and Methods of Use BEIGENE SWITZERLAND GMBH (CH) 2024-06-27 US disclosed
EP-4359403-A1 (R) -GLUTARIMIDE CRBN LIGANDS AND METHODS OF USE BeiGene Switzerland GmbH (CH) 2024-05-01 EP disclosed
CN-117616021-A (R) -glutarimide CRBN ligands and methods of use 百济神州有限公司 2024-02-27 CN disclosed
US-20230265116-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEONE MEDICINES I GMBH (CH) 2023-08-24 US disclosed
US-20230265116-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEONE MEDICINES I GMBH (CH) 2023-08-24 US disclosed
US-20230265116-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEONE MEDICINES I GMBH (CH) 2023-08-24 US disclosed
WO-2022268052-A9 (R) -GLUTARIMIDE CRBN LIGANDS AND METHODS OF USE BEIGENE, LTD. (KY) 2023-08-17 WO disclosed
WO-2021160087-A1 QUINOLYL PHOSPHINE OXIDE COMPOUND, AND COMPOSITION AND APPLICATION THEREOF 贝达药业股份有限公司 2021-08-19 WO disclosed
WO-2021018009-A1 EGFR INHIBITOR, COMPOSITION, AND PREPARATION METHOD THEREFOR 贝达药业股份有限公司 2021-02-04 WO disclosed
EP-2942349-A1 ENZYME MODULATORS AND TREATMENTS Deciphera Pharmaceuticals, LLC (US) 2015-11-11 EP disclosed
US-8163756-B2 For example,1-(3-t-butyl-1- (1,2,3,4-tetrahydro- isoquinolin-6-yl)-1H- pyrazol-5-yl)-3-(3- cyanophenyl)urea; for treatment of mammalian cancers and inflammatory diseases including rheumatoid arthritis, retinopathies DECIPHERA PHARMACEUTICALS, LLC (US) 2012-04-24 US disclosed
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2008-05-15 US disclosed
EP-1835934-A2 ENZYME MODULATORS AND TREATMENTS Deciphera Pharmaceuticals, LLC (US) 2007-09-26 EP disclosed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 US disclosed
WO-2006071940-A2 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-07-06 WO disclosed
US-20050165006-A1 Quinoline derivatives, their preparation and pharmaceutical compositions comprising the same HYUNDAI PHARM. IND. CO., LTD. (KR) 2005-07-28 US disclosed
WO-2003082286-A1 QUINOLINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHEMON INC. (KR) 2003-10-09 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 (5 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-20230265116-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE EGFR, CBL, ERBB2 TTR 3836/4885TXNRD1 971/4885TXNRD3 1548/4885
US-20050165006-A1 Quinoline derivatives, their preparation and pharmaceutical compositions comprising the same SLC18A2, SLC6A4, SLC6A2 TTR 2562/4885TXNRD1 707/4885TXNRD3 1110/4885
US-20240207267-A1 (R)-Glutarimide CRBN Ligands and Methods of Use CRBN, CDR2, CRKL TTR 1958/4885TXNRD1 254/4885TXNRD3 215/4885
US-20070078121-A1 Enzyme modulators and treatments ABL1, ABL2, LCK TTR 1491/4885TXNRD1 3280/4885TXNRD3 3713/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 TTR 996/4885TXNRD1 2696/4885TXNRD3 3182/4885

“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.