SCHEMBL1245376

SCHEMBL1245376

O=C(OCCCC[C@@H](O)CO)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
ADRB2 P07550 2/20 0.52
ADRB1 P08588 2/20 0.52
ADRB3 P13945 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
ATM Q13315 1/20 0.51
BCHE P06276 2/20 0.47
MAPT P10636 6/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
PTPN11 Q06124 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45

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
SCHEMBL1245348 1.00 MEN1 (0.53) MEN1KMT2AADRB2ADRB1ADRB3
SCHEMBL1245346 1.00 MEN1 (0.53) MEN1KMT2AADRB2ADRB1ADRB3
SCHEMBL1244738 0.91 KMT2A (0.57) MEN1KMT2AADRB2ADRB1ADRB3
SCHEMBL1244737 0.91 KMT2A (0.57) MEN1KMT2AADRB2ADRB1ADRB3
SCHEMBL7074293 0.86 MEN1 (0.68) MEN1KMT2AADRB2ADRB1ADRB3
SCHEMBL3404716 0.85 ADRB2 (0.56) MEN1KMT2AADRB2ADRB1ADRB3
SCHEMBL3404710 0.85 ADRB2 (0.56) MEN1KMT2AADRB2ADRB1ADRB3
SCHEMBL2879966 0.84 MEN1 (0.66) MEN1KMT2AADRB2ADRB1ADRB3
SCHEMBL18726389 0.84 ADRB2 (0.55) MEN1KMT2AADRB2ADRB1ADRB3
SCHEMBL18725919 0.84 ADRB2 (0.55) MEN1KMT2AADRB2ADRB1ADRB3

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2986288-B1 QUINONE BASED NITRIC OXIDE DONATING COMPOUNDS FOR OPHTHALMIC USE NICOX SCIENCE IRELAND (IE) 2017-04-12 EP disclosed
US-9598349-B2 Quinone based nitric oxide donating compounds for ophthalmic use NICOX SCIENCE IRELAND (IE) 2017-03-21 US disclosed
US-20160145192-A1 QUINONE BASED NITRIC OXIDE DONATING COMPOUNDS FOR OPHTHALMIC USE NICOX SA (FR) 2016-05-26 US disclosed
EP-2986288-A1 QUINONE BASED NITRIC OXIDE DONATING COMPOUNDS FOR OPHTHALMIC USE Nicox Science Ireland (IE) 2016-02-24 EP disclosed
WO-2014170262-A1 QUINONE BASED NITRIC OXIDE DONATING COMPOUNDS NICOX SCIENCE IRELAND (IE) 2014-10-23 WO disclosed
WO-2014170264-A1 QUINONE BASED NITRIC OXIDE DONATING COMPOUNDS FOR OPHTHALMIC USE NICOX SCIENCE IRELAND (IE) 2014-10-23 WO disclosed
WO-2011012400-A2 NITRIC OXIDE RELEASING NAPROXEN NICOX S.A. (FR) 2011-02-03 WO disclosed
US-7622502-B2 Nitric oxide releasing prodrugs of diaryl-2-(5h)-furanones as cyclooxygenase-2 inhibitors MERCK FROSST CANADA & CO. (CA) 2009-11-24 US disclosed
US-20080242722-A1 Combination Therapy for Treating Cyclooxygenase-2 Mediated Diseases or Conditions in Patients at Risk of Thrombotic Cardiovascular Events DUFRESNE CLAUDE 2008-10-02 US disclosed
US-20080227758-A1 Nitric Oxide Releasing Prodrugs of Diaryl-2-(5h)-Furanones as Cyclooxygenase-2 Inhibitors BERTHELETTE CARL 2008-09-18 US disclosed
US-20080227758-A1 Nitric Oxide Releasing Prodrugs of Diaryl-2-(5h)-Furanones as Cyclooxygenase-2 Inhibitors BERTHELETTE CARL 2008-09-18 US disclosed
EP-1711457-A4 NITRIC OXIDE RELEASING PRODRUGS OF DIARYL-2-(5H)-FURANONES AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST COMPANY (CA) 2008-01-09 EP disclosed
EP-1711454-A4 COMBINATION THERAPY FOR TREATING CYCLOOXYGENASE-2 MEDIATED DISEASES OR CONDITIONS IN PATIENTS AT RISK OF THROMBOTIC CARDIOVASCULAR EVENTS MERCK FROSST COMPANY (CA) 2007-04-04 EP disclosed
EP-1711454-A1 COMBINATION THERAPY FOR TREATING CYCLOOXYGENASE-2 MEDIATED DISEASES OR CONDITIONS IN PATIENTS AT RISK OF THROMBOTIC CARDIOVASCULAR EVENTS Merck Frosst Company (CA) 2006-10-18 EP disclosed
EP-1711457-A1 NITRIC OXIDE RELEASING PRODRUGS OF DIARYL-2-(5H)-FURANONES AS CYCLOOXYGENASE-2 INHIBITORS Merck Frosst Company (CA) 2006-10-18 EP disclosed
WO-2005070874-A1 NITRIC OXIDE RELEASING PRODRUGS OF DIARYL-2-(5H)-FURANONES AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST COMPANY (CA) 2005-08-04 WO disclosed
WO-2005070868-A1 COMBINATION THERAPY FOR TREATING CYCLOOXYGENASE-2 MEDIATED DISEASES OR CONDITIONS IN PATIENTS AT RISK OF THROMBOTIC CARDIOVASCULAR EVENTS MERCK FROSST COMPANY (CA) 2005-08-04 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 (3 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-20080242722-A1 Combination Therapy for Treating Cyclooxygenase-2 Mediated Diseases or Conditions in Patients at Risk of Thrombotic Cardiovascular Events PTGS2, PTGS1, PTGES2 MEN1 4123/4885KMT2A 3588/4885ADRB2 2038/4885
US-20080227758-A1 Nitric Oxide Releasing Prodrugs of Diaryl-2-(5h)-Furanones as Cyclooxygenase-2 Inhibitors PTGIS, PTGS1, PTGS2 MEN1 3275/4885KMT2A 3933/4885ADRB2 1624/4885
US-20160145192-A1 QUINONE BASED NITRIC OXIDE DONATING COMPOUNDS FOR OPHTHALMIC USE NQO1, NOS1, NOS2 MEN1 1189/4885KMT2A 2334/4885ADRB2 960/4885

“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.