SCHEMBL755345

SCHEMBL755345

CC1(C)Nc2cc([N+](=O)[O-])ccc2NC1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CAPN9 O14815 1/20 0.49
CASP3 P42574 1/20 0.49
AKR1B1 P15121 2/20 0.48
PGR P06401 1/20 0.47
CYP3A4 P08684 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
ALDH1A1 P00352 3/20 0.44
CYP1A2 P05177 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALPL P05186 1/20 0.42
SNCA P37840 4/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL7754611 0.93 CAPN9 (0.49) MEN1KMT2ACAPN9CASP3AKR1B1
SCHEMBL14328385 0.86 AKR1B1 (0.49) MEN1KMT2ACAPN9CASP3AKR1B1
SCHEMBL12237296 0.79 CAPN9 (0.55) MEN1KMT2ACAPN9CASP3AKR1B1
SCHEMBL18677465 0.78 MEN1 (0.42) MEN1KMT2ACAPN9CASP3AKR1B1
SCHEMBL31344376 0.78 MEN1 (0.61) MEN1KMT2ACAPN9CASP3CYP3A4
SCHEMBL193560 0.78 MEN1 (0.61) MEN1KMT2ACAPN9CASP3CYP3A4
SCHEMBL29242097 0.78 MEN1 (0.61) MEN1KMT2ACAPN9CASP3CYP3A4
Water SCHEMBL16654483 0.77 CAPN9 (0.49) MEN1KMT2ACAPN9CASP3AKR1B1
SCHEMBL3594073 0.75 MGAT2 (0.37) MEN1KMT2APGRCYP3A4TDP1
SCHEMBL31251189 0.75 PGR (0.71) MEN1KMT2ACAPN9CASP3AKR1B1

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 21 patents — showing the first 20. 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
EP-0620732-B1 METHODS FOR USING (2-IMIDAZOLIN-2-YLAMINO) QUINOXALINE DERIVATIVES ALLERGAN INC (US) 2001-04-04 EP disclosed
US-5418234-A Methods for using (2-imidazolin-2-ylamino) quinoxaline derivatives ALLERGAN, INC. (US) 1995-05-23 US disclosed
US-5373010-A Methods for using (2-imidazolin-2-ylamino) quinoxaline derivatives ALLERGAN, INC. (US) 1994-12-13 US disclosed
EP-0620732-A1 METHODS FOR USING (2-IMIDAZOLIN-2-YLAMINO) QUINOXALINE DERIVATIVES ALLERGAN, INC. (US) 1994-10-26 EP disclosed
US-5326763-A Methods for using (2-imidazolin-2-ylamino) quinoxaline derivatives ALLERGAN, INC. (US) 1994-07-05 US disclosed
US-5231096-A Methods for using (2-imidazolin-2-ylamino) quinoxaline derivatives ALLERGAN, INC. (US) 1993-07-27 US disclosed
WO-1993013771-A1 METHODS FOR USING (2-IMIDAZOLIN-2-YLAMINO) QUINOXALINE DERIVATIVES ALLERGAN, INC. (US) 1993-07-22 WO disclosed
EP-0549594-A1 (2-IMIDAZOLIN-2-YLAMINO) QUINOXALINE DERIVATIVES AND METHODS FOR USING SAME. ALLERGAN INC (US) 1993-07-07 EP disclosed
EP-0549594-A4 (2-IMIDAZOLIN-2-YLAMINO) QUINOXALINE DERIVATIVES AND METHODS FOR USING SAME. ALLERGAN INC (US) 1993-04-16 EP disclosed
US-5198442-A (2-imidazolin-2-ylamino) quinoxaline derivatives and methods for using same ALLERGAN, INC. (US) 1993-03-30 US disclosed
US-5112822-A Gastrointestinal disorders and glaucoma treatment ALLERGAN, INC. (US) 1992-05-12 US disclosed
WO-1992002515-A1 (2-IMIDAZOLIN-2-YLAMINO) QUINOXALINE DERIVATIVES AND METHODS FOR USING SAME ALLERGAN, INC. (US) 1992-02-20 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 MEN1 1447/4885KMT2A 2504/4885CAPN9 3671/4885
US-20110251185-A1 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS NR3C2, MC2R, NR3C1 MEN1 1447/4885KMT2A 2504/4885CAPN9 3671/4885

“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.