SCHEMBL1250105

SCHEMBL1250105

c1ccc(Oc2ccc(CNc3cccc(-c4nn[nH]n4)c3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
GP6 Q9HCN6 2/20 0.51
METAP2 P50579 1/20 0.51
PFKFB3 Q16875 4/20 0.49
PFKFB4 Q16877 2/20 0.48
MAPT P10636 1/20 0.48
CACNA1B Q00975 2/20 0.47
FAAH O00519 1/20 0.46
MGLL Q99685 1/20 0.46
GRK2 P25098 1/20 0.46
LTA4H P09960 1/20 0.46
GRM2 Q14416 1/20 0.46
CYSLTR1 Q9Y271 1/20 0.46
SLC22A12 Q96S37 1/20 0.46
KMT2A Q03164 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
SCHEMBL1250771 0.92 ALDH1A1 (0.54) ALDH1A1GP6METAP2PFKFB3PFKFB4
SCHEMBL1249266 0.89 ALDH1A1 (0.62) ALDH1A1GP6METAP2PFKFB3PFKFB4
SCHEMBL1250616 0.89 ALDH1A1 (0.66) ALDH1A1GP6METAP2PFKFB3PFKFB4
SCHEMBL1248177 0.87 GP6 (0.56) ALDH1A1GP6METAP2MAPTKMT2A
SCHEMBL1249303 0.87 PFKFB4 (0.61) ALDH1A1PFKFB3PFKFB4MAPTKMT2A
SCHEMBL1249320 0.86 LTA4H (0.55) ALDH1A1GP6CACNA1BLTA4HKMT2A
SCHEMBL1250761 0.85 PFKFB4 (0.65) ALDH1A1GP6PFKFB3PFKFB4MAPT
SCHEMBL1247856 0.84 KMT2A (0.54) ALDH1A1GP6PFKFB4MAPTKMT2A
SCHEMBL1249206 0.83 PFKFB3 (0.60) ALDH1A1GP6METAP2PFKFB3PFKFB4
SCHEMBL1250957 0.83 FFAR1 (0.58) ALDH1A1GP6METAP2MAPTGRK2

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 23 patents — showing the first 20. 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-7879893-B2 Zinc binding ligand; sustained release of insulin NOVO NORDISK A/S (DK) 2011-02-01 US disclosed
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-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand NOVO NORDISK A/S (DK) 2009-05-14 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
EP-1585541-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING INSULIN AND LEGENDS OF INSULIN HEXAMER NOVO NORDISK AS (DK) 2007-11-14 EP disclosed
EP-1429763-B1 NOVEL LIGANDS FOR THE HisB10 Zn2+ SITES OF THE R-STATE INSULIN HEXAMER NOVO NORDISK AS (DK) 2007-05-30 EP disclosed
EP-1429763-B1 NOVEL LIGANDS FOR THE HisB10 Zn2+ SITES OF THE R-STATE INSULIN HEXAMER NOVO NORDISK AS (DK) 2007-05-30 EP disclosed
EP-1768694-A1 PHAMACEUTICAL PREPARATIONS COMPRISING INSULIN NOVO NORDISK A/S (DK) 2007-04-04 EP disclosed
EP-1610812-A1 PHARMACEUTICAL PREPARATIONS COMPRISING ACID-STABILISED INSULIN NOVO NORDISK A/S (DK) 2006-01-04 EP disclosed
EP-1605967-A1 NOVEL NPH INSULIN PREPARATIONS NOVO NORDISK A/S (DK) 2005-12-21 EP disclosed
EP-1585541-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING INSULIN AND LEGENDS OF INSULIN HEXAMER NOVO NORDISK A/S (DK) 2005-10-19 EP disclosed
US-20050065066-A1 comprising insulin and novel ligands for the HisB10 Zn2+ sites of the R-state insulin hexamer; physical and chemical stability NOVO NORDISK A/S (DK) 2005-03-24 US disclosed
WO-2004080481-A1 NOVEL NPH INSULIN PREPARATIONS NOVO NORDISK A/S (DK) 2004-09-23 WO disclosed
WO-2004080480-A1 PHARMACEUTICAL PREPARATIONS COMPRISING ACID-STABILISED INSULIN NOVO NORDISK A/S (DK) 2004-09-23 WO disclosed
WO-2004056347-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING INSULIN AND LEGENDS OF INSULIN HEXAMER NOVO NORDISK A/S (DK) 2004-07-08 WO disclosed
EP-1429763-A2 NOVEL LIGANDS FOR THE HisB10 Zn2+ SITES OF THE R-STATE INSULIN HEXAMER NOVO NORDISK A/S (DK) 2004-06-23 EP disclosed
US-20030229120-A1 Novel ligands for the hisb10 zn2+ sites of the r-state insulin hexamer NOVO NORDISK A/S (DK) 2003-12-11 US disclosed
WO-2003027081-A2 NOVEL LIGANDS FOR THE HisB10 Zn2+ SITES OF THE R-STATE INSULIN HEXAMER NOVO NORDISK A/S (DK) 2003-04-03 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-20030229120-A1 Novel ligands for the hisb10 zn2+ sites of the r-state insulin hexamer IAPP, IRS1, GPR119 ALDH1A1 4873/4885GP6 3513/4885METAP2 771/4885
US-20050065066-A1 comprising insulin and novel ligands for the HisB10 Zn2+ sites of the R-state insulin hexamer; physical and chemical stability IAPP, IRS1, INSR ALDH1A1 4878/4885GP6 2684/4885METAP2 1627/4885
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand IAPP, IRS1, HBB ALDH1A1 4836/4885GP6 1944/4885METAP2 2408/4885

“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.