SCHEMBL755117

SCHEMBL755117

CC1(C)Oc2cc([N+](=O)[O-])ccc2NC1=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.49
ALPL P05186 1/20 0.49
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CAPN9 O14815 1/20 0.46
CASP3 P42574 1/20 0.46
PGR P06401 2/20 0.45
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
GAA P10253 1/20 0.43
AKR1B1 P15121 1/20 0.43
CYP3A4 P08684 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL56146 0.88 ALDH1A1 (0.51) BRD4ALPLALDH1A1MEN1KMT2A
SCHEMBL3039804 0.83 ALPL (0.48) ALPLALDH1A1MEN1KMT2APOLB
SCHEMBL17996438 0.82 ALPL (0.47) ALPLALDH1A1MEN1KMT2APOLB
SCHEMBL8632319 0.81 NPC1 (0.46) ALPLALDH1A1MEN1KMT2APOLB
SCHEMBL17434495 0.80 ALPL (0.48) ALPLALDH1A1MEN1KMT2APOLB
SCHEMBL2722518 0.77 BRD4 (0.60) BRD4ALDH1A1KMT2APOLBMAPT
SCHEMBL10346886 0.76 MEN1 (0.59) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL29636440 0.76 MEN1 (0.59) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL13574297 0.76 BRD4 (0.50) BRD4ALDH1A1POLBPDE3BPDE3A
SCHEMBL17027265 0.76 BRD4 (0.56) BRD4ALDH1A1POLBPGRPDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2883870-B1 METHOD FOR PRODUCING 1,4-BENZOXAZINE COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2018-10-24 EP disclosed
EP-3112354-B1 METHOD FOR PRODUCING 1,4-BENZOXAZINE COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2018-07-25 EP disclosed
EP-3112354-B1 METHOD FOR PRODUCING 1,4-BENZOXAZINE COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2018-07-25 EP disclosed
US-9834520-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-12-05 US disclosed
US-9751846-B2 Method for producing 1,4-benzoxazine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-09-05 US disclosed
US-9751846-B2 Method for producing 1,4-benzoxazine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-09-05 US disclosed
EP-3112354-A1 METHOD FOR PRODUCING 1,4-BENZOXAZINE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2017-01-04 EP disclosed
EP-3112354-A1 METHOD FOR PRODUCING 1,4-BENZOXAZINE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2017-01-04 EP disclosed
US-20160362385-A1 METHOD FOR PRODUCING 1,4-BENZOXAZINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-12-15 US disclosed
US-20160362385-A1 METHOD FOR PRODUCING 1,4-BENZOXAZINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-12-15 US disclosed
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. 2008-12-04 US disclosed
EP-1984345-A1 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS Mitsubishi Tanabe Pharma Corporation (JP) 2008-10-29 EP disclosed
US-20080096919-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. 2008-04-24 US disclosed
US-20080096919-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. 2008-04-24 US disclosed
US-7312233-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2007-12-25 US disclosed
US-7312233-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2007-12-25 US disclosed
WO-2007100758-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-09-07 WO disclosed
WO-2007089034-A1 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-08-09 WO disclosed
EP-1054889-A1 NEW OXAZOLIDINONES WITH AZOL-CONTAINING TRICYCLES Bayer Aktiengesellschaft (DE) 2000-11-29 EP disclosed
WO-1999040094-A1 AGENT FOR SEALING METALLIC GROUND COATS, ESPECIALLY GROUND COATS CONSISTING OF ZINC OR ZINC ALLOYS BAYER AKTIENGESELLSCHAFT (DE) 1999-08-12 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 (3 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-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 BRD4 2304/4885ALPL 2832/4885ALDH1A1 1821/4885
US-20160362385-A1 METHOD FOR PRODUCING 1,4-BENZOXAZINE COMPOUND BRSK1, BRSK2, MSMO1 BRD4 29/4885ALPL 3152/4885ALDH1A1 840/4885
US-20080096919-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 BRD4 2304/4885ALPL 2832/4885ALDH1A1 1821/4885

“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.