SCHEMBL7366127

SCHEMBL7366127

O=c1cc(-c2cc(O)c(O)c([N+](=O)[O-])c2)oc2ccccc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FTO Q9C0B1 2/20 0.73
▸ TNKS O95271 8/20 0.61
▸ PARP1 P09874 6/20 0.61
▸ TNKS2 Q9H2K2 6/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ CSNK2A2 P19784 2/20 0.61
▸ CSNK2B P67870 2/20 0.61
▸ CSNK2A1 P68400 2/20 0.61
▸ PARP2 Q9UGN5 2/20 0.61
▸ LMNA P02545 1/20 0.61
▸ KDM4E B2RXH2 5/20 0.60
▸ CYP3A4 P08684 5/20 0.60
▸ HPGD P15428 5/20 0.60
▸ SMN1; SMN2 Q16637 4/20 0.60
▸ MAPT P10636 3/20 0.60
▸ ALOX15 P16050 2/20 0.60
▸ HSD17B10 Q99714 2/20 0.60
▸ MAPK1 P28482 2/20 0.60
▸ ALOX5 P09917 1/20 0.60
▸ ST6GAL1 P15907 1/20 0.60

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
SCHEMBL1883775 0.85 FTO (1.00) FTOTNKSPARP1TNKS2ALDH1A1
SCHEMBL30000045 0.85 FTO (1.00) FTOTNKSPARP1TNKS2ALDH1A1
SCHEMBL19209889 0.78 PTPRS (0.86) FTOTNKSPARP1TNKS2ALDH1A1
SCHEMBL7371456 0.77 LCK (0.65) TNKSPARP1TNKS2ALDH1A1CSNK2A2
SCHEMBL311820 0.77 FTO (0.78) FTOTNKSPARP1TNKS2ALDH1A1
SCHEMBL22821714 0.76 ALDH1A1 (0.74) FTOTNKSPARP1TNKS2ALDH1A1
SCHEMBL311795 0.76 ALDH1A1 (0.74) FTOTNKSPARP1TNKS2ALDH1A1
SCHEMBL7568626 0.76 TNKS (1.00) TNKSPARP1TNKS2ALDH1A1CSNK2A2
SCHEMBL1459318 0.76 ALDH1A1 (1.00) TNKSPARP1TNKS2ALDH1A1CSNK2A2
SCHEMBL22821671 0.76 ALDH1A1 (0.65) FTOTNKSPARP1TNKS2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190514-A1 PYRONE ANALOG COMPOSITIONS AND METHODS LIMERICK BIOPHARMA, INC. (US) 2011-08-04 — — US disclosed
US-20110190514-A1 PYRONE ANALOG COMPOSITIONS AND METHODS LIMERICK BIOPHARMA, INC. (US) 2011-08-04 — — US disclosed
US-20090258939-A1 PYRONE ANALOG COMPOSITIONS AND METHODS LIMERICK BIOPHARMA, INC. 2009-10-15 — — US disclosed
US-20090258939-A1 PYRONE ANALOG COMPOSITIONS AND METHODS LIMERICK BIOPHARMA, INC. 2009-10-15 — — US disclosed
WO-2009018350-A1 PYRONE ANALOG COMPOSITIONS AND METHODS LIMERICK BIOPHARMA, INC. (US) 2009-02-05 — — WO disclosed
WO-2009018320-A1 PYRONE ANALOG COMPOSITIONS AND METHODS LIMERICK BIOPHARMA, INC. (US) 2009-02-05 — — WO disclosed
US-5705703-A ENZYME INHIBITORS OF TRANSFERASES HOFFMANN-LA ROCHE INC. (US) 1998-01-06 — — US disclosed
US-5633371-A ENZYME INHIBITORS; TREATMENT OF DEPRESSION AND PARKINSON*S DISEASE HOFFMANN-LA ROCHE INC. (US) 1997-05-27 — — US disclosed
US-5476875-A Catechol derivatives HOFFMAN-LA ROCHE INC. (US) 1995-12-19 — — US disclosed
US-5389653-A Inhibitors of the enzyme catechol-O-methyltransferase; useful as co-medication in treatment of Parkinson's disease HOFFMAN-LA ROCHE INC. (US) 1995-02-14 — — US disclosed
US-5236952-A Inhibit the enzyme catechol-O-methyltransferase; for treatment of Parkinson's disease administered with L-dopa HOFFMANN-LA ROCHE INC. (US) 1993-08-17 — — US disclosed
EP-0237929-B1 3,5-DISUBSTITUTED PYROCATECHOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1993-06-02 — — EP disclosed
EP-0237929-A1 3,5-Disubstituted pyrocatechol derivatives F. HOFFMANN-LA ROCHE AG (CH) 1987-09-23 — — EP 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-20090258939-A1 PYRONE ANALOG COMPOSITIONS AND METHODS CYP11B2, CYP11B1, GLS2 FTO 3629/4885TNKS 1537/4885PARP1 838/4885
US-20110190514-A1 PYRONE ANALOG COMPOSITIONS AND METHODS CYP11B2, CYP11B1, GLS2 FTO 3629/4885TNKS 1537/4885PARP1 838/4885

“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.

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