SCHEMBL761693

SCHEMBL761693

CC1(C)Oc2cc([N+](=O)[O-])c(Cl)cc2N(c2ccccc2F)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PMM2 O15305 1/20 0.38
MPI P34949 1/20 0.38
PHOSPHO1 Q8TCT1 1/20 0.38
MEN1 O00255 1/20 0.36
PGR P06401 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TOP1 P11387 1/20 0.36
ALDH1A1 P00352 6/20 0.35
MAPT P10636 5/20 0.35
NR3C2 P08235 1/20 0.35
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
F8 P00451 1/20 0.34
F5 P12259 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MGLL Q99685 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CFTR P13569 1/20 0.33

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
SCHEMBL756905 0.83 NR3C2 (0.52) PMM2MPIPHOSPHO1MEN1PGR
SCHEMBL2267350 0.82 MEN1 (0.39) MEN1PGRKMT2AALDH1A1NR3C2
SCHEMBL14995344 0.78 LRRK2 (0.40) MPITOP1ALDH1A1MAPTCA12
SCHEMBL758117 0.72 NR3C2 (0.43) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL758387 0.71 NR3C2 (0.53) PMM2MPIPHOSPHO1MEN1PGR
SCHEMBL18398363 0.69 CHRM5 (0.42) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL2269965 0.69 GAA (0.37) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL756093 0.69 NR3C2 (0.50) PMM2MPIPHOSPHO1MEN1KMT2A
SCHEMBL15323508 0.68 ESPL1 (0.40) MPIPGRSMN1; SMN2ALDH1A1MAPT
SCHEMBL758799 0.67 NR3C2 (0.35) MEN1KMT2AALDH1A1MAPTNR3C2

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 PMM2 4033/4885MPI 4567/4885PHOSPHO1 4256/4885
US-20110251185-A1 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS NR3C2, MC2R, NR3C1 PMM2 4033/4885MPI 4567/4885PHOSPHO1 4256/4885

“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.