SCHEMBL7370416

SCHEMBL7370416

COc1cc(-c2nnn[nH]2)cc([N+](=O)[O-])c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 1/20 0.54
TTR P02766 1/20 0.44
EGFR P00533 1/20 0.43
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
CSNK2A1 P68400 1/20 0.43
MAPT P10636 3/20 0.42
GAA P10253 1/20 0.42
ALOX5 P09917 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AMY1A P0DUB6 1/20 0.41
POLB P06746 3/20 0.40
JUN P05412 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ABCB1 P08183 1/20 0.40
ABCC1 P33527 1/20 0.40

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
SCHEMBL12892194 0.86 KMT2A (0.47) GRK6MAPTGAAPOLBTDP1
SCHEMBL7370507 0.82 TTR (0.46) TTRMAPTTDP1MEN1KMT2A
SCHEMBL16326381 0.78 SMPD3 (0.47) GRK6AMY1ASMPD3
SCHEMBL15331402 0.73 GRK6 (0.51) GRK6EGFRCSNK2A2CSNK2BCSNK2A1
SCHEMBL7368889 0.72 AMY1A (0.60) GRK6MAPTSMN1; SMN2AMY1ATDP1
SCHEMBL14907778 0.72 GRK6 (0.67) GRK6TTRCSNK2A2CSNK2BCSNK2A1
SCHEMBL18540541 0.72 GRK6 (0.56) GRK6TTREGFRCSNK2A2CSNK2B
SCHEMBL7365686 0.72 AMY1A (0.56) GRK6MAPTGAASMN1; SMN2AMY1A
SCHEMBL7393888 0.72 AMY1A (0.67) GRK6MAPTGAASMN1; SMN2AMY1A
SCHEMBL23751958 0.71 TTR (0.61) TTREGFRMAPTGAAALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7879893-B2 Zinc binding ligand; sustained release of insulin NOVO NORDISK A/S (DK) 2011-02-01 US disclosed
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand NOVO NORDISK A/S (DK) 2009-05-14 US 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 (1 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-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand IAPP, IRS1, HBB GRK6 1626/4885TTR 62/4885EGFR 807/4885

“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.