SCHEMBL755073

SCHEMBL755073

O=C1Nc2ccc([N+](=O)[O-])cc2OC1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
GAA P10253 1/20 0.54
KMT2A Q03164 7/20 0.53
MEN1 O00255 6/20 0.53
MAPT P10636 4/20 0.48
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CAPN9 O14815 1/20 0.45
CASP3 P42574 1/20 0.45
MAPK1 P28482 1/20 0.44
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PGR P06401 1/20 0.42
GRIA1 P42261 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA3 P42263 1/20 0.41
GRIA4 P48058 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL5514499 0.82 KMT2A (0.56) ALDH1A1GAAKMT2AMEN1MAPT
SCHEMBL5518583 0.78 KMT2A (0.65) ALDH1A1GAAKMT2AMEN1MAPT
SCHEMBL4971157 0.78 KMT2A (0.53) ALDH1A1GAAKMT2AMEN1MAPT
SCHEMBL17434178 0.77 KMT2A (0.53) ALDH1A1GAAKMT2AMEN1MAPT
SCHEMBL30943180 0.77 KMT2A (0.53) ALDH1A1GAAKMT2AMEN1MAPT
SCHEMBL7476036 0.76 ALDH1A1 (0.67) ALDH1A1GAAKMT2AMEN1MAPT
SCHEMBL17434273 0.75 ALDH1A1 (0.60) ALDH1A1GAAKMT2AMEN1MAPT
SCHEMBL30806329 0.75 KMT2A (0.61) ALDH1A1GAAKMT2AMEN1MAPT
SCHEMBL17434276 0.75 ALDH1A1 (0.60) ALDH1A1GAAKMT2AMEN1MAPT
SCHEMBL10346886 0.75 MEN1 (0.59) ALDH1A1GAAKMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188073-B2 Benzoxazines and related nitrogen-containing heterobicyclic compounds useful as mineralocorticoid receptor modulating agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-05-29 US disclosed
EP-1984345-B9 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-21 EP disclosed
US-20110251185-A1 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS IIJIMA TORU 2011-10-13 US disclosed
EP-1984345-B1 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS MITSUBISHI TANABE PHARMA CORP (JP) 2011-08-31 EP disclosed
US-7998956-B2 Benzoxazines and related nitrogen-containing heterobicyclic compounds useful as mineralocorticoid receptor modulating agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-16 US disclosed
US-20090023716-A1 Benzoxazines and Related Nitrogen-Containing Heterobicyclic Compounds Useful as Mineralocorticoid Receptor Modulating Agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-22 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
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

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-20090023716-A1 Benzoxazines and Related Nitrogen-Containing Heterobicyclic Compounds Useful as Mineralocorticoid Receptor Modulating Agents NR3C2, MC2R, NR3C1 ALDH1A1 2133/4885GAA 4858/4885KMT2A 2504/4885
US-20110251185-A1 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS NR3C2, MC2R, NR3C1 ALDH1A1 2133/4885GAA 4858/4885KMT2A 2504/4885

“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.