SCHEMBL1248780

SCHEMBL1248780

O=C1NC(=O)/C(=C\c2ccc(-c3ccccc3)cc2)S1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 5/20 0.83
PIM2 Q9P1W9 5/20 0.83
PIM3 Q86V86 1/20 0.83
NAT1 P18440 2/20 0.77
HPGD P15428 6/20 0.70
AKR1B1 P15121 2/20 0.69
PTPN1 P18031 2/20 0.68
GSK3B P49841 2/20 0.64
MAOA P21397 2/20 0.64
RAB9A P51151 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
MAOB P27338 1/20 0.64
GLS O94925 1/20 0.64
GLS2 Q9UI32 1/20 0.64
CISD1 Q9NZ45 2/20 0.62
PIK3CG P48736 1/20 0.61
MEN1 O00255 1/20 0.60
POLB P06746 1/20 0.60
KMT2A Q03164 1/20 0.60
CA2 P00918 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
SCHEMBL12891790 1.00 PIM1 (0.83) PIM1PIM2PIM3NAT1HPGD
SCHEMBL1248782 1.00 PIM1 (0.83) PIM1PIM2PIM3NAT1HPGD
SCHEMBL28303094 0.91 PIM1 (1.00) PIM1PIM2PIM3NAT1HPGD
SCHEMBL211085 0.91 PIM1 (1.00) PIM1PIM2PIM3NAT1HPGD
SCHEMBL1250387 0.91 PIM1 (1.00) PIM1PIM2PIM3NAT1HPGD
SCHEMBL2132747 0.91 PIM1 (1.00) PIM1PIM2PIM3NAT1HPGD
SCHEMBL6202184 0.89 PIM1 (0.76) PIM1PIM2PIM3NAT1HPGD
SCHEMBL10596480 0.87 NAT1 (1.00) PIM1PIM2PIM3NAT1MAOA
SCHEMBL1247510 0.87 NAT1 (1.00) PIM1PIM2PIM3NAT1MAOA
SCHEMBL1247509 0.87 NAT1 (1.00) PIM1PIM2PIM3NAT1MAOA

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
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
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
WO-2006082245-A1 PHARMACEUTICAL PREPARATIONS COMPRISING INSULIN, ZINC IONS AND A ZINC-BINDING LIGAND NOVO NORDISK A/S (DK) 2006-08-10 WO disclosed
US-20060069013-A1 Pharmaceutical preparations comprising acid-stabilised insulin NOVO NORDISK A/S (DK) 2006-03-30 US 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
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 (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 PIM1 3313/4885PIM2 3745/4885PIM3 3759/4885
US-20060069013-A1 Pharmaceutical preparations comprising acid-stabilised insulin IAPP, GPR119, INSR PIM1 4279/4885PIM2 4562/4885PIM3 4591/4885
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 PIM1 3653/4885PIM2 4144/4885PIM3 4080/4885
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand IAPP, IRS1, HBB PIM1 3773/4885PIM2 4301/4885PIM3 4068/4885

“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.