SCHEMBL499574

SCHEMBL499574

O=C1CSc2cc([N+](=O)[O-])ccc2N1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.57
MAOB P27338 4/20 0.57
EPHX2 P34913 1/20 0.57
SNCA P37840 5/20 0.55
CAPN9 O14815 1/20 0.47
CASP3 P42574 1/20 0.47
NOX1 Q9Y5S8 1/20 0.47
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
PGR P06401 1/20 0.46
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
PDE4D Q08499 1/20 0.45
EIF4H Q15056 1/20 0.44

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
SCHEMBL2125595 0.89 HTT (0.54) MAOAMAOBEPHX2SNCACAPN9
SCHEMBL6541330 0.84 PGR (0.64) MAOAMAOBEPHX2CYP11B1CYP11B2
SCHEMBL10353386 0.84 SNCA (0.52) SNCACAPN9CASP3NOX1PGR
SCHEMBL8115442 0.83 SNCA (0.54) SNCACAPN9CASP3NOX1NPC1
SCHEMBL4978630 0.82 HTT (0.47) MAOAMAOBEPHX2SNCANOX1
SCHEMBL1208092 0.78 SNCA (0.84) SNCACAPN9CASP3NOX1NPC1
SCHEMBL29625234 0.78 SNCA (0.84) SNCACAPN9CASP3NOX1NPC1
SCHEMBL8469291 0.75 SNCA (0.51) MAOBSNCACAPN9CASP3NOX1
SCHEMBL753169 0.74 SNCA (0.55) SNCACAPN9CASP3NOX1PGR
SCHEMBL19954 0.73 PGR (0.71) EPHX2CAPN9CASP3PGRPDE3B

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140163016-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2014-06-12 US disclosed
US-20140163016-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2014-06-12 US disclosed
US-20140163016-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2014-06-12 US disclosed
US-8618286-B2 Benzoxazines, benzothiazines, and related compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2013-12-31 US disclosed
US-20120122855-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2012-05-17 US disclosed
US-20120122855-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2012-05-17 US disclosed
US-20120122855-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2012-05-17 US disclosed
US-8106043-B2 Benzoxazines, benzothiazines, and related compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2012-01-31 US disclosed
US-8106043-B2 Benzoxazines, benzothiazines, and related compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2012-01-31 US disclosed
US-8106043-B2 Benzoxazines, benzothiazines, and related compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2012-01-31 US disclosed
EP-1478629-A1 N-ARYL-2-OXAZOLIDINONE-5-CARBOXAMIDES AND THEIR DERIVATIVES AND THEIR USE AS ANTIBACTERIALS PHARMACIA & UPJOHN COMPANY (US) 2004-11-24 EP disclosed
US-20040147760-A1 N-aryl-2-oxazolidinone-5-carboxamides and their derivatives PHARMACIA & UPJOHN COMPANY 2004-07-29 US disclosed
WO-2004041823-A1 NOVEL AMINO-SUBSTITUTED DIHYDROPYRIMIDO[4,5-D]PYRIMIDINONE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2004-05-21 WO disclosed
US-20040087600-A1 Amino-substituted dihydropyrimido[4,5-D]pyrimidinone derivatives HOFFMANN-LA ROCHE INC. 2004-05-06 US disclosed
US-20040044052-A1 N-Aryl-2-oxazolidinone-5-carboxamides and their derivatives PHARMACIA & UPJOHN COMPANY 2004-03-04 US disclosed
WO-2003072553-A1 N-ARYL-2-OXAZOLIDINONE-5-CARBOXAMIDES AND THEIR DERIVATES AND THEIR USE AS ANTIBACTERIALS PHARMACIA & UPJOHN COMPANY (US) 2003-09-04 WO disclosed
EP-1054889-A1 NEW OXAZOLIDINONES WITH AZOL-CONTAINING TRICYCLES Bayer Aktiengesellschaft (DE) 2000-11-29 EP disclosed
EP-1049692-A1 NOVEL BICYCLENE-SUBSTITUTED OXAZOLIDINONES Bayer Aktiengesellschaft (DE) 2000-11-08 EP disclosed
WO-1999040094-A1 AGENT FOR SEALING METALLIC GROUND COATS, ESPECIALLY GROUND COATS CONSISTING OF ZINC OR ZINC ALLOYS BAYER AKTIENGESELLSCHAFT (DE) 1999-08-12 WO disclosed
WO-1999037641-A1 NOVEL BICYCLENE-SUBSTITUTED OXAZOLIDINONES BAYER AKTIENGESELLSCHAFT (DE) 1999-07-29 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 (5 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-20120122855-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 MAOA 22/4885MAOB 44/4885EPHX2 1221/4885
US-20040147760-A1 N-aryl-2-oxazolidinone-5-carboxamides and their derivatives OXA1L, AADAC, MT-ND5 MAOA 957/4885MAOB 976/4885EPHX2 4259/4885
US-20040087600-A1 Amino-substituted dihydropyrimido[4,5-D]pyrimidinone derivatives SRC, ABL1, LCK MAOA 2942/4885MAOB 2445/4885EPHX2 3991/4885
US-20040044052-A1 N-Aryl-2-oxazolidinone-5-carboxamides and their derivatives OXA1L, AADAC, MT-ND5 MAOA 957/4885MAOB 976/4885EPHX2 4259/4885
US-20140163016-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 MAOA 22/4885MAOB 44/4885EPHX2 1221/4885

“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.