SCHEMBL753169

SCHEMBL753169

CC1(C)Sc2cc([N+](=O)[O-])ccc2NC1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 6/20 0.55
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
CAPN9 O14815 1/20 0.47
CASP3 P42574 1/20 0.47
NOX1 Q9Y5S8 1/20 0.47
PGR P06401 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
AKR1B1 P15121 1/20 0.44
CYP3A4 P08684 2/20 0.44
ADAMTS5 Q9UNA0 1/20 0.44
GRIA1 P42261 1/20 0.44
GRIA2 P42262 1/20 0.44
GRIA3 P42263 1/20 0.44
GRIA4 P48058 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL1208092 0.78 SNCA (0.84) SNCANPC1MAPTRAB9ACAPN9
SCHEMBL29625234 0.78 SNCA (0.84) SNCANPC1MAPTRAB9ACAPN9
SCHEMBL23624638 0.75 NPC1 (0.50) SNCANPC1MAPTRAB9ACAPN9
SCHEMBL499574 0.74 MAOA (0.57) SNCANPC1MAPTRAB9ACAPN9
Dimethyl Sulfoxide SCHEMBL18398818 0.74 SNCA (0.72) SNCANPC1MAPTRAB9ACAPN9
SCHEMBL31251189 0.73 PGR (0.71) CAPN9CASP3PGRMEN1KMT2A
SCHEMBL1841727 0.73 PGR (0.71) CAPN9CASP3PGRMEN1KMT2A
SCHEMBL26017582 0.73 SNCA (0.70) SNCANPC1MAPTRAB9ACAPN9
SCHEMBL7754611 0.72 CAPN9 (0.49) SNCANPC1MAPTRAB9ACAPN9
SCHEMBL755345 0.72 MEN1 (0.49) SNCANPC1MAPTRAB9ACAPN9

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 SNCA 4484/4885NPC1 4273/4885MAPT 4559/4885
US-20110251185-A1 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS NR3C2, MC2R, NR3C1 SNCA 4484/4885NPC1 4273/4885MAPT 4559/4885

“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.