SCHEMBL7233246

SCHEMBL7233246

COc1cccc2oc(=O)c3cc([N+](=O)[O-])ccc3c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
AR P10275 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
ADORA2A P29274 1/20 0.48
ABCC1 P33527 1/20 0.47
MAOB P27338 2/20 0.47
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ESR1 P03372 1/20 0.45
KDM5A P29375 1/20 0.45
ESR2 Q92731 1/20 0.45
MAOA P21397 1/20 0.45
CA9 Q16790 3/20 0.44
CA12 O43570 2/20 0.44
NQO1 P15559 1/20 0.44
XDH P47989 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
CYP2A6 P11509 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL7233114 0.84 MEN1 (0.43) MAOBMAPTMEN1KMT2ACA9
SCHEMBL13742980 0.81 CA12 (0.46) MAOBMAPTMEN1KMT2AMAOA
SCHEMBL6718661 0.80 AR (0.55) ARMAOBMAPTMEN1KMT2A
SCHEMBL7233667 0.79 TDP1 (0.52) ARMAPTMEN1KMT2AESR1
SCHEMBL10593907 0.77 MAOA (0.66) ARMAPTMEN1KMT2AESR1
SCHEMBL12113006 0.76 MAPT (0.71) MAPTMEN1KMT2ACA9CA12
SCHEMBL4167668 0.76 AR (0.53) ARMAOBMAPTMEN1KMT2A
SCHEMBL5332842 0.74 MAPT (0.63) MAOBMAPTMEN1KMT2AMAOA
SCHEMBL3663573 0.74 MAOA (0.52) HTTADORA3ADORA2AMAOBMAPT
SCHEMBL11385812 0.73 MAOA (0.63) ADORA3ADORA2AMAPTMEN1KMT2A

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
WO-2021118728-A2 GLUCOCORTICOID RECEPTOR RADIOLIGANDS AND METHODS FOR THEIR PREPARATION AND USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-06-17 WO disclosed
WO-2021118728-A2 GLUCOCORTICOID RECEPTOR RADIOLIGANDS AND METHODS FOR THEIR PREPARATION AND USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-06-17 WO disclosed
US-20110275632-A1 Method for preventing or treating a disease related to the glucocorticoid receptor SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-11-10 US disclosed
US-20110275632-A1 Method for preventing or treating a disease related to the glucocorticoid receptor SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-11-10 US disclosed
US-6593480-B2 Obesity, hyperglycemia ABBOTT LABORATORIES 2003-07-15 US disclosed
WO-2002070507-A2 GLYCORTICOID RECEPTOR ANTAGONISTS FOR TREATMENT OF DIABETES ABBOTT LABORATORIES (US) 2002-09-12 WO disclosed
US-6329534-B1 USEFUL FOR THERAPY OF TYPE II DIABETES, OBESITY, HYPERGLYCEMIA, INADEQUATE GLUCOSE CLEARANCE, HYPERINSULINEMIA, HYPERTRIGLYCERIDEMIA, AND HIGH-CIRCULATING GLUCOCORTICOID LEVELS ABBOTT LABORATORIES 2001-12-11 US disclosed
US-20010041802-A1 Glucocorticoid receptor antagonists for treatment of diabetes KARO BIO AB (SE) 2001-11-15 US 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-20010041802-A1 Glucocorticoid receptor antagonists for treatment of diabetes NR3C1, GPR119, NR3C2 HTT 3414/4885AR 219/4885ADORA3 604/4885
US-20110275632-A1 Method for preventing or treating a disease related to the glucocorticoid receptor NR3C1, NR3C2, NR5A1 HTT 840/4885AR 303/4885ADORA3 1425/4885

“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.