SCHEMBL754983

SCHEMBL754983

Cc1ccc(N2C(=O)C(C)(C)Oc3cc([N+](=O)[O-])ccc32)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.44
MAPT P10636 5/20 0.41
KMT2A Q03164 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 4/20 0.40
LMNA P02545 4/20 0.40
GAA P10253 2/20 0.40
NR3C2 P08235 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL759695 0.84 NR3C2 (0.45) MAPTKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL754121 0.84 AR (0.48) KMT2ASMN1; SMN2ALDH1A1MEN1LMNA
SCHEMBL754733 0.82 PKM (0.50) PKMMAPTKMT2ASMN1; SMN2MAPK1
SCHEMBL757262 0.81 NR3C2 (0.60) KMT2AALDH1A1MEN1NR3C2
SCHEMBL754188 0.81 MAPT (0.46) MAPTKMT2ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL758117 0.81 NR3C2 (0.43) MAPTKMT2ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL756076 0.80 NR3C2 (0.43) MAPTKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL2269965 0.80 GAA (0.37) MAPTKMT2ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL756493 0.77 NR3C2 (0.70) PKMMAPTKMT2ASMN1; SMN2MAPK1
SCHEMBL2264897 0.77 NR3C2 (0.42) MAPTKMT2ASMN1; SMN2ALDH1A1MEN1

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 PKM 4294/4885MAPT 4559/4885KMT2A 2504/4885
US-20110251185-A1 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS NR3C2, MC2R, NR3C1 PKM 4294/4885MAPT 4559/4885KMT2A 2504/4885

“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.