SCHEMBL4456465

SCHEMBL4456465

CC(=O)c1cc(O)ccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
BACE1 P56817 2/20 0.49
DTYMK P23919 1/20 0.45
ALDH1A1 P00352 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
EGFR P00533 1/20 0.44
MGLL Q99685 1/20 0.43
GPR35 Q9HC97 2/20 0.43
TSHR P16473 2/20 0.42
CASP6 P55212 1/20 0.42
CYP3A4 P08684 2/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL2327506 0.85 BACE1 (0.45) MAPTBACE1ALDH1A1NPSR1RXFP1
SCHEMBL31283743 0.83 DTYMK (0.64) BACE1DTYMKALDH1A1NPSR1RXFP1
SCHEMBL267752 0.83 DTYMK (0.64) BACE1DTYMKALDH1A1NPSR1RXFP1
SCHEMBL28134449 0.83 DTYMK (0.64) BACE1DTYMKALDH1A1NPSR1RXFP1
SCHEMBL1277039 0.81 TSHR (0.60) MAPTDTYMKALDH1A1GPR35TSHR
SCHEMBL10831554 0.81 DTYMK (0.62) BACE1DTYMKALDH1A1NPSR1RXFP1
SCHEMBL13010942 0.81 GPR35 (0.56) MAPTALDH1A1GPR35TSHRCYP3A4
SCHEMBL6397059 0.81 BACE1 (0.49) BACE1DTYMKALDH1A1NPSR1RXFP1
Potassium Ion SCHEMBL10831551 0.81 BACE1 (0.49) BACE1DTYMKALDH1A1NPSR1RXFP1
SCHEMBL6397073 0.81 DTYMK (0.62) BACE1DTYMKALDH1A1NPSR1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023031308-A1 CCR2 INHIBITORS ARTICA THERAPEUTICS B.V. (NL) 2023-03-09 WO disclosed
US-10617759-B2 Light-stimulated release of cargo from oligonucleotides TRUSTEES OF BOSTON UNIVERSITY (US) 2020-04-14 US disclosed
US-20190008963-A1 LIGHT-STIMULATED RELEASE OF CARGO FROM OLIGONUCLEOTIDES TRUSTEES OF BOSTON UNIVERSITY (US) 2019-01-10 US disclosed
US-9624520-B2 Biosynthetically generated pyrroline-carboxy-lysine and site specific protein modifications via chemical derivatization of pyrroline-carboxy-lysine and pyrrolysine residues NOVARTIS AG (CH) 2017-04-18 US disclosed
US-9624520-B2 Biosynthetically generated pyrroline-carboxy-lysine and site specific protein modifications via chemical derivatization of pyrroline-carboxy-lysine and pyrrolysine residues NOVARTIS AG (CH) 2017-04-18 US disclosed
US-20140302553-A1 BIOSYNTHETICALLY GENERATED PYRROLINE-CARBOXY-LYSINE AND SITE SPECIFIC PROTEIN MODIFICATIONS VIA CHEMICAL DERIVATIZATION OF PYRROLINE-CARBOXY-LYSINE AND PYRROLYSINE RESIDUES IRM LLC (BM) 2014-10-09 US disclosed
US-20140302553-A1 BIOSYNTHETICALLY GENERATED PYRROLINE-CARBOXY-LYSINE AND SITE SPECIFIC PROTEIN MODIFICATIONS VIA CHEMICAL DERIVATIZATION OF PYRROLINE-CARBOXY-LYSINE AND PYRROLYSINE RESIDUES IRM LLC (BM) 2014-10-09 US disclosed
US-8785151-B2 Biosynthetically generated pyrroline-carboxy-lysine and site specific protein modifications via chemical derivatization of pyrroline-carboxy-lysine and pyrrolysine residues NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2014-07-22 US disclosed
US-8785151-B2 Biosynthetically generated pyrroline-carboxy-lysine and site specific protein modifications via chemical derivatization of pyrroline-carboxy-lysine and pyrrolysine residues NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2014-07-22 US disclosed
US-20110262963-A1 BIOSYNTHETICALLY GENERATED PYRROLINE-CARBOXY-LYSINE AND SITE SPECIFIC PROTEIN MODIFICATIONS VIA CHEMICAL DERIVATIZATION OF PYRROLINE-CARBOXY-LYSINE AND PYRROLYSINE RESIDUES NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-10-27 US disclosed
US-20110262963-A1 BIOSYNTHETICALLY GENERATED PYRROLINE-CARBOXY-LYSINE AND SITE SPECIFIC PROTEIN MODIFICATIONS VIA CHEMICAL DERIVATIZATION OF PYRROLINE-CARBOXY-LYSINE AND PYRROLYSINE RESIDUES NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-10-27 US disclosed
WO-2010048582-A1 BIOSYNTHETICALLY GENERATED PYRROLINE-CARBOXY-LYSINE AND SITE SPECIFIC PROTEIN MODIFICATIONS VIA CHEMICAL DERIVATIZATION OF PYRROLINE-CARBOXY-LYSINE AND PYRROLYSINE RESIDUES IRM LLC (BM) 2010-04-29 WO disclosed
US-20090143426-A1 Synthesis of 1,3,6-trisubstituted-2-carboxyquinol-4-ones as selective ET A antagonists and their use as medicaments STEPHANI RALPH ANTHONY 2009-06-04 US disclosed
EP-0369627-B1 Pyrimidinedione derivative compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS (JP) 1994-12-21 EP disclosed
US-5008267-A Pyrimidinedione compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-04-16 US disclosed
EP-0369627-A2 Pyrimidinedione derivative compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-05-23 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 (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-10617759-B2 Light-stimulated release of cargo from oligonucleotides DCLRE1B, CLTA, EEA1 MAPT 2549/4885BACE1 4396/4885DTYMK 299/4885
US-20110262963-A1 BIOSYNTHETICALLY GENERATED PYRROLINE-CARBOXY-LYSINE AND SITE SPECIFIC PROTEIN MODIFICATIONS VIA CHEMICAL DERIVATIZATION OF PYRROLINE-CARBOXY-LYSINE AND PYRROLYSINE RESIDUES PTMS, PHYKPL, DNPEP MAPT 4324/4885BACE1 4090/4885DTYMK 305/4885
US-20190008963-A1 LIGHT-STIMULATED RELEASE OF CARGO FROM OLIGONUCLEOTIDES DCLRE1B, CLTA, EEA1 MAPT 2549/4885BACE1 4396/4885DTYMK 299/4885

“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.