SCHEMBL756987

SCHEMBL756987

CC1(C)Oc2cc([N+](=O)[O-])ccc2N(C=Cc2ccccc2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
CYP19A1 P11511 1/20 0.39
HTT P42858 1/20 0.37
FBP1 P09467 2/20 0.36
VCP P55072 1/20 0.36
CYP1B1 Q16678 1/20 0.36
MAPT P10636 5/20 0.36
KMT2A Q03164 5/20 0.36
GAA P10253 1/20 0.36
BLM P54132 1/20 0.36
ALDH1A1 P00352 5/20 0.36
MEN1 O00255 3/20 0.36
POLB P06746 2/20 0.36
NR1H4 Q96RI1 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
CASP1 P29466 1/20 0.35
CASP3 P42574 1/20 0.35
CASP4 P49662 1/20 0.35

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
SCHEMBL756986 1.00 NFE2L2 (0.43) NFE2L2L3MBTL1CYP19A1HTTFBP1
SCHEMBL756861 0.82 CYP19A1 (0.35) CYP19A1CYP1B1MAPTKMT2AALDH1A1
SCHEMBL754188 0.78 MAPT (0.46) L3MBTL1HTTMAPTKMT2AGAA
SCHEMBL27735485 0.75 NFE2L2 (0.40) NFE2L2L3MBTL1CYP19A1HTTFBP1
SCHEMBL756084 0.74 CASP1 (0.55) L3MBTL1HTTMAPTKMT2AALDH1A1
SCHEMBL755243 0.74 L3MBTL1 (0.41) L3MBTL1HTTMAPTKMT2AALDH1A1
SCHEMBL17433954 0.72 CYP1A2 (0.43) L3MBTL1MAPTKMT2AALDH1A1MEN1
SCHEMBL757262 0.69 NR3C2 (0.60) KMT2AALDH1A1MEN1POLBCASP1
SCHEMBL758117 0.69 NR3C2 (0.43) MAPTKMT2AGAAALDH1A1MEN1
SCHEMBL30561198 0.69 P2RX4 (0.53) CYP19A1HTTFBP1CYP1B1MAPT

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 NFE2L2 311/4885L3MBTL1 4882/4885CYP19A1 170/4885
US-20110251185-A1 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS NR3C2, MC2R, NR3C1 NFE2L2 311/4885L3MBTL1 4882/4885CYP19A1 170/4885

“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.