SCHEMBL754789

SCHEMBL754789

O=C1C(F)Oc2cc([N+](=O)[O-])ccc2N1c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 3/20 0.44
POLB P06746 1/20 0.42
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 2/20 0.37
SCN2A Q99250 1/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 1/20 0.36
PTGS1 P23219 1/20 0.36
PMM2 O15305 1/20 0.36
MPI P34949 1/20 0.36
PHOSPHO1 Q8TCT1 1/20 0.36
LMNA P02545 1/20 0.35
HSPB1 P04792 2/20 0.35
HPN P05981 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
SCHEMBL757581 0.83 NR3C2 (0.61) NR3C2POLBCACNA1BAPBA1ALDH1A1
Hydrochloric Acid SCHEMBL756901 0.79 NR3C2 (0.46) NR3C2CACNA1BAPBA1ALDH1A1MAPT
SCHEMBL757262 0.77 NR3C2 (0.60) NR3C2POLBCACNA1BAPBA1ALDH1A1
SCHEMBL27756115 0.75 POLB (0.39) NR3C2POLBALDH1A1KMT2AMAPT
SCHEMBL755348 0.73 NR3C2 (0.80) NR3C2CACNA1BAPBA1ALDH1A1
SCHEMBL756044 0.68 NR3C2 (0.60) NR3C2POLBALDH1A1KMT2AMAPT
SCHEMBL757606 0.68 AR (0.45) NR3C2POLBALDH1A1KMT2AMAPT
SCHEMBL755352 0.68 POLB (0.42) NR3C2POLBALDH1A1KMT2ASCN2A
SCHEMBL755073 0.68 ALDH1A1 (0.54) POLBALDH1A1KMT2AMAPTMEN1
SCHEMBL10650531 0.67 SCN2A (0.42) POLBCACNA1BAPBA1ALDH1A1KMT2A

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 NR3C2 1/4885POLB 3875/4885CACNA1B 722/4885
US-20110251185-A1 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS NR3C2, MC2R, NR3C1 NR3C2 1/4885POLB 3875/4885CACNA1B 722/4885

“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.