SCHEMBL3540216

SCHEMBL3540216

O=C(O)c1ccc([N+](=O)[O-])c2c1OCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.49
TXNRD3 Q86VQ6 1/20 0.49
TXNRD2 Q9NNW7 1/20 0.49
CDK2 P24941 4/20 0.46
DTYMK P23919 1/20 0.45
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP3A4 P08684 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 2/20 0.42
CASP6 P55212 1/20 0.42
HSPA1A P0DMV8 1/20 0.40
PTPN7 P35236 1/20 0.40
ALOX15 P16050 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RAB9A P51151 1/20 0.39
MYC P01106 1/20 0.37
GSTP1 P09211 1/20 0.37

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
SCHEMBL27175803 0.90 DTYMK (0.45) TXNRD1TXNRD3TXNRD2CDK2DTYMK
SCHEMBL30160831 0.90 DTYMK (0.45) TXNRD1TXNRD3TXNRD2CDK2DTYMK
SCHEMBL608552 0.77 TXNRD1 (0.53) TXNRD1TXNRD3TXNRD2CDK2MEN1
SCHEMBL5201408 0.76 TXNRD1 (0.45) TXNRD1TXNRD3TXNRD2CDK2MEN1
SCHEMBL29901773 0.75 TXNRD1 (0.64) TXNRD1TXNRD3TXNRD2CDK2MEN1
SCHEMBL4491664 0.75 TXNRD1 (0.50) TXNRD1TXNRD3TXNRD2CDK2MEN1
SCHEMBL10749290 0.74 TXNRD1 (0.62) TXNRD1TXNRD3TXNRD2CDK2MEN1
SCHEMBL24327364 0.74 TXNRD1 (0.53) TXNRD1TXNRD3TXNRD2CDK2MEN1
SCHEMBL29661290 0.74 TXNRD1 (0.53) TXNRD1TXNRD3TXNRD2CDK2MEN1
SCHEMBL28958003 0.74 TXNRD1 (0.53) TXNRD1TXNRD3TXNRD2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240360146-A1 BRUTON'S TYROSINE KINASE AND MUTANT DEGRADER, COMPOSITION AND APPLICATION THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2024-10-31 US disclosed
CN-115557933-B Bruton tyrosine kinase and mutant degradation agent, composition and application thereof 杭州和正医药有限公司 2024-08-16 CN disclosed
EP-4342892-A1 BRUTON'S TYROSINE KINASE AND MUTANT DEGRADER, COMPOSITION AND APPLICATION THEREOF Hangzhou Healzen Therapeutics Co., Ltd. (CN) 2024-03-27 EP disclosed
CN-115557933-A Bruton tyrosine kinase and mutant degradation agent, composition and application thereof 杭州和正医药有限公司 2023-01-03 CN disclosed
US-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
EP-2046793-A2 FUSED PYRIMIDO COMPOUNDS AstraZeneca AB (SE) 2009-04-15 EP disclosed
WO-2008040951-A1 COMPOUNDS ASTRAZENECA AB (SE) 2008-04-10 WO disclosed
US-7329753-B2 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2008-02-12 US disclosed
WO-2008003958-A2 FUSED PYRIMIDO COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 WO disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 US disclosed
EP-1492771-B1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AG (DE) 2007-02-28 EP disclosed
US-20060229333-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2006-10-12 US disclosed
US-7109212-B2 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2006-09-19 US disclosed
US-20050165050-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2005-07-28 US disclosed
US-6897224-B2 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2005-05-24 US disclosed
EP-1492771-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-01-05 EP disclosed
US-20040116694-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2004-06-17 US disclosed
WO-2003082827-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 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 (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-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 TXNRD1 2488/4885TXNRD3 2020/4885TXNRD2 1066/4885
US-20240360146-A1 BRUTON'S TYROSINE KINASE AND MUTANT DEGRADER, COMPOSITION AND APPLICATION THEREOF BTK, ZAP70, SYK TXNRD1 4134/4885TXNRD3 4719/4885TXNRD2 4791/4885
US-20060229333-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors NFKBIA, IL1B, IRF3 TXNRD1 1698/4885TXNRD3 1899/4885TXNRD2 637/4885
US-20050165050-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors NFKBIA, IL1B, IRF3 TXNRD1 1698/4885TXNRD3 1899/4885TXNRD2 637/4885

“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.