SCHEMBL757269

SCHEMBL757269

CC1(C)Oc2cc([N+](=O)[O-])cc(Br)c2NC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
GLA P06280 1/20 0.41
ESPL1 Q14674 1/20 0.38
CYP3A4 P08684 1/20 0.38
NQO2 P16083 1/20 0.35
NSD2 O96028 1/20 0.35
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34
HSP90AA1 P07900 1/20 0.34
POLB P06746 3/20 0.34
MAPT P10636 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HPGD P15428 1/20 0.34
MCL1 Q07820 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 1/20 0.33
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
AKR1B1 P15121 1/20 0.33
PGR P06401 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
SCHEMBL755876 0.82 ALDH1A1 (0.43) ALDH1A1NSD2KMT2AMEN1POLB
SCHEMBL754387 0.82 KMT2A (0.45) ALDH1A1CYP3A4NSD2KMT2AMEN1
SCHEMBL16834268 0.77 ALDH1A1 (0.41) ALDH1A1GLAESPL1CYP3A4NQO2
SCHEMBL23113360 0.74 ALDH1A1 (0.44) ALDH1A1GLAESPL1CYP3A4NQO2
SCHEMBL755117 0.73 BRD4 (0.49) ALDH1A1CYP3A4KMT2AMEN1POLB
SCHEMBL56146 0.70 ALDH1A1 (0.51) ALDH1A1CYP3A4KMT2AMEN1POLB
SCHEMBL16830195 0.67 PGR (0.44) ALDH1A1GLAESPL1CYP3A4NQO2
SCHEMBL20269447 0.67 PGR (0.47) ALDH1A1GLAESPL1CYP3A4NQO2
SCHEMBL30329742 0.66 ALDH1A1 (0.42) ALDH1A1GLAESPL1CYP3A4NQO2
SCHEMBL23113650 0.66 PGR (0.48) ALDH1A1GLAESPL1CYP3A4NQO2

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 2133/4885GLA 3910/4885ESPL1 4756/4885
US-20110251185-A1 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS NR3C2, MC2R, NR3C1 ALDH1A1 2133/4885GLA 3910/4885ESPL1 4756/4885

“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.