SCHEMBL4101494

SCHEMBL4101494

CCCCCCCCCCOc1ccc(/C=C2/SC(=O)NC2=O)c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
PLA2G1B P04054 2/20 0.59
ATG4B Q9Y4P1 2/20 0.59
HSP90AA1 P07900 1/20 0.59
PTPN1 P18031 3/20 0.53
IGF1R P08069 2/20 0.53
TTR P02766 3/20 0.51
AKR1B1 P15121 1/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
BLM P54132 1/20 0.51
POLB P06746 1/20 0.51
HTT P42858 1/20 0.51
HPGD P15428 5/20 0.51
PIM1 P11309 1/20 0.49
PIM2 Q9P1W9 1/20 0.49
GSK3A P49840 1/20 0.48
CISD1 Q9NZ45 1/20 0.47
ESRRA P11474 1/20 0.47

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
SCHEMBL13846590 1.00 MEN1 (0.59) MEN1KMT2APLA2G1BATG4BHSP90AA1
SCHEMBL4101498 1.00 MEN1 (0.59) MEN1KMT2APLA2G1BATG4BHSP90AA1
SCHEMBL4097729 1.00 MEN1 (0.59) MEN1KMT2APLA2G1BATG4BHSP90AA1
SCHEMBL4097728 1.00 MEN1 (0.59) MEN1KMT2APLA2G1BATG4BHSP90AA1
SCHEMBL12892318 0.87 MEN1 (0.48) MEN1KMT2APLA2G1BATG4BHSP90AA1
SCHEMBL1248237 0.87 MEN1 (0.48) MEN1KMT2APLA2G1BATG4BHSP90AA1
SCHEMBL1248238 0.87 MEN1 (0.48) MEN1KMT2APLA2G1BATG4BHSP90AA1
SCHEMBL12892121 0.86 MEN1 (0.51) MEN1KMT2APLA2G1BATG4BHSP90AA1
SCHEMBL12892126 0.86 MEN1 (0.51) MEN1KMT2APLA2G1BATG4BHSP90AA1
SCHEMBL12892125 0.86 MEN1 (0.51) MEN1KMT2APLA2G1BATG4BHSP90AA1

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 12 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
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 MEN1 680/4885KMT2A 4399/4885PLA2G1B 4811/4885
US-20060069013-A1 Pharmaceutical preparations comprising acid-stabilised insulin IAPP, GPR119, INSR MEN1 395/4885KMT2A 4638/4885PLA2G1B 4219/4885
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 MEN1 299/4885KMT2A 4420/4885PLA2G1B 4469/4885
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand IAPP, IRS1, HBB MEN1 912/4885KMT2A 4327/4885PLA2G1B 4744/4885

“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.