SCHEMBL4101023

SCHEMBL4101023

O=C1NC(=O)/C(=C/c2ccc(O)c3ccoc23)S1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAT1 P18440 1/20 0.58
TDP1 Q9NUW8 4/20 0.56
KDM4E B2RXH2 1/20 0.56
NSD2 O96028 1/20 0.56
POLB P06746 1/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
MAPK1 P28482 1/20 0.56
RECQL P46063 1/20 0.56
GFER P55789 1/20 0.56
MCL1 Q07820 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
GSK3B P49841 5/20 0.50
AKR1B1 P15121 2/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
CISD1 Q9NZ45 2/20 0.48
PTPN1 P18031 1/20 0.47
IGF1R P08069 2/20 0.46
TTR P02766 2/20 0.46

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
SCHEMBL4101025 1.00 NAT1 (0.58) NAT1TDP1KDM4ENSD2POLB
SCHEMBL4099179 0.81 PTPN1 (0.56) GSK3BAKR1B1HPGDRAB9APTPN1
SCHEMBL13846631 0.81 PTPN1 (0.56) GSK3BAKR1B1HPGDRAB9APTPN1
SCHEMBL4099178 0.81 PTPN1 (0.56) GSK3BAKR1B1HPGDRAB9APTPN1
SCHEMBL1250141 0.78 NAT1 (0.68) NAT1TDP1KDM4ENSD2POLB
SCHEMBL1250140 0.78 NAT1 (0.68) NAT1TDP1KDM4ENSD2POLB
SCHEMBL1248914 0.76 TTR (0.62) NAT1KDM4EGSK3BAKR1B1HPGD
SCHEMBL1248913 0.76 TTR (0.62) NAT1KDM4EGSK3BAKR1B1HPGD
SCHEMBL12891863 0.76 TTR (0.62) NAT1KDM4EGSK3BAKR1B1HPGD
SCHEMBL1249158 0.74 NAT1 (1.00) NAT1TDP1KDM4ENSD2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 NAT1 2886/4885TDP1 4817/4885KDM4E 4791/4885
US-20060069013-A1 Pharmaceutical preparations comprising acid-stabilised insulin IAPP, GPR119, INSR NAT1 4021/4885TDP1 4829/4885KDM4E 4773/4885
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 NAT1 4479/4885TDP1 4842/4885KDM4E 4665/4885
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand IAPP, IRS1, HBB NAT1 4542/4885TDP1 4829/4885KDM4E 4599/4885

“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.