SCHEMBL1247925

SCHEMBL1247925

O=C1NC(=O)/C(=C\c2c[nH]c3ccc([N+](=O)[O-])cc23)S1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.56
TDP2 O95551 1/20 0.52
CASP7 P55210 1/20 0.52
CASP9 P55211 1/20 0.52
CASP6 P55212 1/20 0.52
CASP8 Q14790 1/20 0.52
GAA P10253 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MGAM O43451 2/20 0.50
SI P14410 2/20 0.50
MGAM2 Q2M2H8 2/20 0.50
BLM P54132 2/20 0.50
RET P07949 1/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
GSK3B P49841 1/20 0.49

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
SCHEMBL13846609 1.00 IGF1R (0.56) IGF1RTDP2CASP7CASP9CASP6
SCHEMBL1247927 1.00 IGF1R (0.56) IGF1RTDP2CASP7CASP9CASP6
SCHEMBL12891968 0.88 TDP1 (0.45) IGF1RTDP2CASP7CASP9CASP6
SCHEMBL12892038 0.80 MAOA (0.56) IGF1RGAAMEN1KMT2AMAPT
SCHEMBL1250274 0.80 MAOA (0.56) IGF1RGAAMEN1KMT2AMAPT
SCHEMBL1250275 0.80 MAOA (0.56) IGF1RGAAMEN1KMT2AMAPT
SCHEMBL6015906 0.78 RET (0.66) IGF1RGAAMEN1KMT2AMGAM
SCHEMBL6015908 0.78 RET (0.66) IGF1RGAAMEN1KMT2AMGAM
SCHEMBL4097065 0.77 IGF1R (0.54) IGF1RTDP2CASP7CASP9CASP6
SCHEMBL4097067 0.77 IGF1R (0.54) IGF1RTDP2CASP7CASP9CASP6

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 14 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
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
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
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 (5 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 IGF1R 27/4885TDP2 4859/4885CASP7 4029/4885
US-20060069013-A1 Pharmaceutical preparations comprising acid-stabilised insulin IAPP, GPR119, INSR IGF1R 19/4885TDP2 4852/4885CASP7 3791/4885
US-20030229120-A1 Novel ligands for the hisb10 zn2+ sites of the r-state insulin hexamer IAPP, IRS1, GPR119 IGF1R 16/4885TDP2 4837/4885CASP7 4122/4885
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 IGF1R 7/4885TDP2 4863/4885CASP7 4031/4885
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand IAPP, IRS1, HBB IGF1R 13/4885TDP2 4864/4885CASP7 3363/4885

“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.