SCHEMBL6257481

SCHEMBL6257481

O=[N+]([O-])c1cccc2c1OCO2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.62
TXNRD3 Q86VQ6 1/20 0.62
TXNRD2 Q9NNW7 1/20 0.62
MAPT P10636 5/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 1/20 0.47
MCL1 Q07820 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CHRNB4 P30926 2/20 0.46
CHRNA3 P32297 2/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
GPR35 Q9HC97 1/20 0.44

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
SCHEMBL30379968 1.00 TXNRD1 (0.62) TXNRD1TXNRD3TXNRD2MAPTMEN1
SCHEMBL2962443 0.85 MAPT (0.47) TXNRD1TXNRD3TXNRD2MAPTL3MBTL1
SCHEMBL1744130 0.80 TXNRD1 (0.56) TXNRD1TXNRD3TXNRD2MAPTMEN1
SCHEMBL18936144 0.77 CHRNB4 (0.43) TXNRD1TXNRD3TXNRD2MAPTMEN1
SCHEMBL3860202 0.77 MAPT (0.51) TXNRD1TXNRD3TXNRD2MAPTMEN1
SCHEMBL6619488 0.75 TXNRD1 (0.68) TXNRD1TXNRD3TXNRD2MAPTMEN1
SCHEMBL30414974 0.75 TXNRD1 (0.68) TXNRD1TXNRD3TXNRD2MAPTMEN1
SCHEMBL11032479 0.75 TXNRD1 (0.68) TXNRD1TXNRD3TXNRD2MAPTMEN1
SCHEMBL8403300 0.75 TXNRD1 (0.68) TXNRD1TXNRD3TXNRD2MAPTMEN1
SCHEMBL4942788 0.74 TXNRD1 (0.41) TXNRD1TXNRD3TXNRD2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3392341-B1 PROCESS FOR SHORTENING THE HYDROCARBON CHAIN OF A CARBOXYLIC ACID BY A PEROXYGENASE CONSEJO SUPERIOR INVESTIGACION (ES) 2021-03-10 EP disclosed
US-10501413-B2 Inhibitors of the Notch transcriptional activation complex and methods for use of the same UNIVERSITY OF MIAMI (US) 2019-12-10 US disclosed
US-10465173-B2 Polypeptides having peroxygenase activity and polynucleotides encoding same NOVOZYMES A/S (DK) 2019-11-05 US disclosed
US-10465172-B2 Peroxygenase variants NOVOZYMES A/S (DK) 2019-11-05 US disclosed
EP-2906689-B1 POLYPEPTIDES HAVING PEROXYGENASE ACTIVITY NOVOZYMES AS (DK) 2018-12-12 EP disclosed
EP-2906690-B1 POLYPEPTIDES HAVING PEROXYGENASE ACTIVITY NOVOZYMES AS (DK) 2018-12-12 EP disclosed
EP-2661437-B1 2,4-DIAMINO-6,7-DIHYDRO-5H-PYRROLO[2,3]PYRIMIDINE DERIVATIVES AS FAK/Pyk2 INHIBITORS CENTAURUS BIOPHARMA CO LTD (CN) 2018-11-07 EP disclosed
EP-3392341-A1 PROCESS FOR SHORTENING THE HYDROCARBON CHAIN OF A CARBOXYLIC ACID BY A PEROXYGENASE Consejo Superior de Investigaciones Científicas (CSIC) (ES) 2018-10-24 EP disclosed
CN-103748217-B Polypeptide with peroxidase activity and the polynucleotides for encoding the polypeptide NOVOZYMES A/S (DK) 2018-08-31 CN disclosed
EP-2906688-B1 POLYPEPTIDES HAVING PEROXYGENASE ACTIVITY NOVOZYMES AS (DK) 2018-08-29 EP disclosed
US-6166048-A Pharmaceutical compositions for inhibition of cytokine production and secretion TARGACEPT, INC. (US) 2000-12-26 US disclosed
WO-2000062767-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING PYRIDINE OR PYRIMIDINE DERIVATES FOR INHIBITION OF CYTOKINE PRODUCTION AND SECRETION TARGACEPT, INC. (US) 2000-10-26 WO disclosed
EP-1042274-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE R.J. REYNOLDS TOBACCO COMPANY (US) 2000-10-11 EP disclosed
WO-2000004036-A9 PHOTOCLEAVABLE NUCLEOSIDE BASE UNIV DUKE (US) 2000-07-06 WO disclosed
WO-2000023418-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE R.J. REYNOLDS TOBACCO COMPANY (US) 2000-04-27 WO disclosed
WO-2000004036-A1 PHOTOCLEAVABLE NUCLEOSIDE BASE DUKE UNIVERSITY (US) 2000-01-27 WO disclosed
EP-0635483-B1 Process for preparing nitroaniline derivatives SUMITOMO CHEMICAL CO (JP) 1997-10-22 EP disclosed
EP-0537518-B1 Derivatives of 2,2-dihalobenzo(1,3)dioxoles substituted in the 4-position, methods for their preparation and their use BAYER AG (DE) 1996-04-17 EP disclosed
US-5281725-A Derivatives of 2,2-dihalogenobenzo[1,3]dioxoles substituted in the 4-position, processes for their preparation and their use BAYER AKTIENGESELLSCHAFT (DE) 1994-01-25 US disclosed
EP-0537518-A1 Derivatives of 2,2-dihalobenzo(1,3)dioxoles substituted in the 4-position, methods for their preparation and their use BAYER AG (DE) 1993-04-21 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 (1 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-10501413-B2 Inhibitors of the Notch transcriptional activation complex and methods for use of the same NOTCH1, CBFB, HES1 TXNRD1 1705/4885TXNRD3 2486/4885TXNRD2 2995/4885

“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.