SCHEMBL2334026

SCHEMBL2334026

[O]S(=O)(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.54
▸ HTT P42858 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ GAA P10253 1/20 0.50
▸ CA2 P00918 6/20 0.47
▸ CA5A P35218 3/20 0.47
▸ TSHR P16473 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ CA1 P00915 5/20 0.45
▸ CA12 O43570 3/20 0.45
▸ CA9 Q16790 3/20 0.45
▸ CA14 Q9ULX7 3/20 0.45
▸ CA3 P07451 2/20 0.45
▸ CA4 P22748 2/20 0.45
▸ CA6 P23280 2/20 0.45
▸ CA7 P43166 2/20 0.45
▸ CA13 Q8N1Q1 2/20 0.45
▸ CA5B Q9Y2D0 2/20 0.45
▸ VCAM1 P19320 1/20 0.45
▸ CYP3A4 P08684 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
SCHEMBL29395454 0.82 CYP19A1 (0.77) CYP19A1HTTKMT2AGAATSHR
SCHEMBL1171984 0.79 CYP19A1 (0.52) CYP19A1HTTKMT2AGAACA2
SCHEMBL1172200 0.79 CA2 (0.66) CYP19A1HTTKMT2AGAACA2
SCHEMBL668513 0.79 CYP19A1 (0.52) CYP19A1HTTKMT2AGAACA2
SCHEMBL2214769 0.79 CYP19A1 (0.52) CYP19A1HTTKMT2AGAACA2
Lithium Ion SCHEMBL28617436 0.79 CYP19A1 (0.52) CYP19A1HTTKMT2AGAACA2
SCHEMBL28540842 0.79 CYP19A1 (0.52) CYP19A1HTTKMT2AGAACA2
SCHEMBL212845 0.79 CYP19A1 (0.81) CYP19A1HTTKMT2ATSHRLMNA
SCHEMBL205255 0.79 KMT2A (0.75) CYP19A1HTTKMT2AGAACA2
SCHEMBL9577 0.78 CA2 (0.64) CA2CA5ALMNACA1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1211254-B1 Process for the preparation of benzoxazine derivatives and intermediates therefor DAIICHI SANKYO CO LTD (JP) 2014-05-07 — — EP disclosed
EP-2284174-B1 Intermediates for the preparation of benzoxazine derivatives and process for their preparation DAIICHI SANKYO CO LTD (JP) 2014-03-05 — — EP disclosed
EP-2218722-B9 Process for producing benzoxazine derivative and production intermediate thereof DAIICHI SANKYO CO LTD (JP) 2013-06-19 — — EP disclosed
EP-2218722-B1 Process for producing benzoxazine derivative and production intermediate thereof DAIICHI SANKYO CO LTD (JP) 2013-03-13 — — EP disclosed
EP-2360160-A1 Intermediates and their use for producing benzoxazine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-08-24 — — EP disclosed
CN-101157619-B Process for producing intermediate for benzoxazine derivative DAIICHI SEIYAKU CO 2011-05-04 — — CN disclosed
EP-2284174-A1 INTERMEDIATES FOR THE PREPARATION OF BENZOXAZINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION Daiichi Sankyo Company, Limited (JP) 2011-02-16 — — EP disclosed
EP-2218722-A2 Process for producing benzoxazine derivative and production intermediate thereof Daiichi Sankyo Company, Limited (JP) 2010-08-18 — — EP disclosed
CN-100537519-C Intermediate for preparing benzoxazine derivative and its preparing method DAIICHI SEIYAKU CO (JP) 2009-09-09 — — CN disclosed
CN-100432060-C Process for producing benzoxazine derivative and production intermediate thereof DAIICHI SEIYAKU CO (JP) 2008-11-12 — — CN disclosed
US-7189847-B2 Process for producing benzoxazine derivative and production intermediate thereof DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-13 — — US disclosed
US-7087778-B2 Process for producing benzoxazine derivative and production intermediate thereof DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-08-08 — — US disclosed
CN-1733744-A Process for producing benzoxazine derivative and production intermediate thereof DAIICHI SEIYAKU CO (JP) 2006-02-15 — — CN disclosed
US-20060014947-A1 Process for producing benzoxazine derivative and production intermediate thereof DAIICHI PHARMACEUTICAL CO., LTD. 2006-01-19 — — US disclosed
CN-1195759-C Process for preparing benzoxazine derivatives and intermediates thereof DAIICHI SEIYAKU CO (JP) 2005-04-06 — — CN disclosed
US-6872823-B1 Process for producing benzoxazine derivative and production intermediate thereof DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-03-29 — — US disclosed
US-20050027119-A1 Process for producing benzoxazine derivative and production intermediate thereof DAIICHI PHARMACEUTICAL CO., LTD. 2005-02-03 — — US disclosed
CN-1532181-A Intermediate for preparing benzoxazine derivative and preparation method thereof 第一制药株式会社 2004-09-29 — — CN disclosed
CN-1379779-A Process for preparing benzoxazine derivatives and intermediates thereof DAIICHI SEIYAKU CO (JP) 2002-11-13 — — CN disclosed
EP-1211254-A1 PROCESS FOR THE PREPARATION OF BENZOXAZINE DERIVATIVES AND INTERMEDIATES THEREFOR DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-06-05 — — 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-20060014947-A1 Process for producing benzoxazine derivative and production intermediate thereof CYP4Z1, COASY, VAT1 CYP19A1 210/4885HTT 4170/4885KMT2A 2762/4885
US-20050027119-A1 Process for producing benzoxazine derivative and production intermediate thereof CYP4Z1, COASY, VAT1 CYP19A1 123/4885HTT 4229/4885KMT2A 2115/4885

“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.

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