SCHEMBL758117

SCHEMBL758117

CC1(C)Oc2cc([N+](=O)[O-])ccc2N(c2ccc(F)cc2Cl)C1=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.43
WDR5 P61964 1/20 0.42
ALDH1A1 P00352 8/20 0.39
MAPT P10636 5/20 0.39
LMNA P02545 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
GAA P10253 4/20 0.37
HPGD P15428 2/20 0.37
CASP6 P55212 2/20 0.36
HSD17B10 Q99714 1/20 0.36
CASP1 P29466 1/20 0.35
CASP3 P42574 1/20 0.35
CASP4 P49662 1/20 0.35
CASP7 P55210 1/20 0.35
CASP9 P55211 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
SCHEMBL2269965 0.85 GAA (0.37) NR3C2ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL757262 0.84 NR3C2 (0.60) NR3C2WDR5ALDH1A1KMT2AMEN1
SCHEMBL754584 0.82 NR3C2 (0.46) NR3C2ALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL754983 0.81 PKM (0.44) NR3C2ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL2264897 0.80 NR3C2 (0.42) NR3C2ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL2268117 0.78 NR3C2 (0.44) NR3C2WDR5ALDH1A1MAPTLMNA
SCHEMBL754188 0.77 MAPT (0.46) NR3C2ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL753924 0.76 NR3C2 (0.74) NR3C2MAPK1GAAHPGD
SCHEMBL757925 0.76 NR3C2 (0.45) NR3C2ALDH1A1MAPTLMNAKMT2A
SCHEMBL759695 0.76 NR3C2 (0.45) NR3C2WDR5ALDH1A1MAPTLMNA

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 6 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
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 (1 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-20110251185-A1 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS NR3C2, MC2R, NR3C1 NR3C2 1/4885WDR5 3339/4885ALDH1A1 2133/4885

“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.