SCHEMBL4100041

SCHEMBL4100041

CCN(CC)c1ccc(C=C2SC(=N)NC2=O)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 3/20 0.73
CRHR2 Q13324 3/20 0.73
MEN1 O00255 6/20 0.62
KMT2A Q03164 6/20 0.62
MRE11 P49959 1/20 0.62
POLB P06746 2/20 0.62
PIM1 P11309 4/20 0.56
PIM2 Q9P1W9 4/20 0.56
LMNA P02545 2/20 0.56
MAPT P10636 2/20 0.56
GSK3B P49841 2/20 0.56
XDH P47989 1/20 0.56
ALDH1A1 P00352 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
KDM4E B2RXH2 1/20 0.55
GAA P10253 1/20 0.55
MAPK1 P28482 1/20 0.55
NTSR1 P30989 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
NPC1 O15118 1/20 0.54

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
SCHEMBL4100036 1.00 CRHBP (0.73) CRHBPCRHR2MEN1KMT2AMRE11
SCHEMBL4101538 0.90 CRHBP (0.79) CRHBPCRHR2MEN1KMT2APIM1
SCHEMBL4101541 0.90 CRHBP (0.79) CRHBPCRHR2MEN1KMT2APIM1
SCHEMBL194499 0.84 CRHBP (1.00) CRHBPCRHR2MEN1KMT2APOLB
SCHEMBL1249353 0.84 CRHBP (1.00) CRHBPCRHR2MEN1KMT2APOLB
SCHEMBL194498 0.84 CRHBP (1.00) CRHBPCRHR2MEN1KMT2APOLB
SCHEMBL8180288 0.83 XDH (0.67) CRHBPCRHR2MEN1KMT2AMRE11
SCHEMBL8180287 0.83 XDH (0.67) CRHBPCRHR2MEN1KMT2AMRE11
SCHEMBL15332599 0.82 MEN1 (0.73) MEN1KMT2AMRE11POLBPIM1
SCHEMBL15332601 0.82 MEN1 (0.73) MEN1KMT2AMRE11POLBPIM1

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 CRHBP 124/4885CRHR2 1576/4885MEN1 680/4885
US-20060069013-A1 Pharmaceutical preparations comprising acid-stabilised insulin IAPP, GPR119, INSR CRHBP 123/4885CRHR2 2192/4885MEN1 395/4885
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 CRHBP 133/4885CRHR2 1651/4885MEN1 299/4885
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand IAPP, IRS1, HBB CRHBP 121/4885CRHR2 2442/4885MEN1 912/4885

“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.