SCHEMBL4102175

SCHEMBL4102175

O=C(O)c1ccc(Cn2ccc3cc(-c4nn[nH]n4)ccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.53
PLG P00747 1/20 0.47
PLAU P00749 1/20 0.47
GRM2 Q14416 1/20 0.45
ALOX5 P09917 1/20 0.44
EPHX2 P34913 1/20 0.44
HDAC8 Q9BY41 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HDAC11 Q96DB2 1/20 0.43
XDH P47989 2/20 0.43
AGTR1 P30556 1/20 0.43
AGTR2 P50052 1/20 0.43
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
PPARG P37231 1/20 0.42

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
SCHEMBL4104344 0.99 PLA2G4A (0.52) PLA2G4APLGPLAUGRM2ALOX5
SCHEMBL12892291 0.90 PPARG (0.55) PLA2G4APLGPLAUGRM2XDH
SCHEMBL4104586 0.88 PLAU (0.50) PLA2G4APLGPLAUGRM2PPARG
SCHEMBL1250934 0.87 GP6 (0.51) PLA2G4APLGPLAUGRM2AGTR1
SCHEMBL1250386 0.87 GRM2 (0.48) PLA2G4APLGPLAUGRM2AGTR1
SCHEMBL4096357 0.86 RPA1 (0.52) PLA2G4APLGPLAUGRM2HDAC8
SCHEMBL4088566 0.85 GRM2 (0.49) PLA2G4APLGPLAUGRM2EPHX2
SCHEMBL4089239 0.85 PLA2G4A (0.51) PLA2G4APLGPLAUGRM2HDAC8
SCHEMBL12914817 0.85 PLA2G4A (0.48) PLA2G4APLGPLAUGRM2AGTR1
SCHEMBL1248028 0.85 ATM (0.51) PLA2G4APLGPLAUGRM2AGTR1

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 11 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-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-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
US-20060258561-A1 Novel NPH insulin preparations NOVO NORDISK A/S (DK) 2006-11-16 US disclosed
US-20060069013-A1 Pharmaceutical preparations comprising acid-stabilised insulin NOVO NORDISK A/S (DK) 2006-03-30 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20060258561-A1 Novel NPH insulin preparations IAPP, HBB, INSR PLA2G4A 4850/4885PLG 3251/4885PLAU 2980/4885
US-20060069013-A1 Pharmaceutical preparations comprising acid-stabilised insulin IAPP, GPR119, INSR PLA2G4A 4116/4885PLG 2558/4885PLAU 995/4885
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 PLA2G4A 4510/4885PLG 3536/4885PLAU 1191/4885
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand IAPP, IRS1, HBB PLA2G4A 4747/4885PLG 2645/4885PLAU 1662/4885

“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.