SCHEMBL1249136

SCHEMBL1249136

COC(=O)c1ccc2c(c1)nnn2-c1ccc(C(N)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.46
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
HTT P42858 1/20 0.45
NAMPT P43490 1/20 0.44
KDM4E B2RXH2 2/20 0.44
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
HCAR3 P49019 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 2/20 0.41
KCNMA1 Q12791 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DHODH Q02127 1/20 0.40

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
SCHEMBL23675205 0.87 MAPT (0.51) FGFR1ALDH1A1HPGDHTTKDM4E
SCHEMBL30204311 0.86 FGFR1 (0.47) FGFR1ALDH1A1HPGDHTTKDM4E
SCHEMBL23675322 0.80 HPGD (0.64) FGFR1ALDH1A1HPGDKDM4ENPC1
SCHEMBL6223760 0.79 KDM4E (0.48) FGFR1ALDH1A1HPGDNAMPTKDM4E
SCHEMBL2876917 0.76 HCAR3 (0.69) FGFR1ALDH1A1HPGDKDM4EHCAR3
SCHEMBL3936368 0.76 CA12 (0.54) FGFR1ALDH1A1HPGDHTTKDM4E
SCHEMBL8988237 0.76 NAMPT (0.41) FGFR1ALDH1A1HPGDNAMPTKDM4E
SCHEMBL24929267 0.76 HPGD (0.50) ALDH1A1HPGDHTTIDO1TDO2
SCHEMBL23675185 0.75 HCAR3 (0.56) ALDH1A1HPGDHTTHCAR3TP53
SCHEMBL29462127 0.75 HCAR3 (0.41) FGFR1HPGDHTTKDM4EIDO1

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 10 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
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-2004080480-A1 PHARMACEUTICAL PREPARATIONS COMPRISING ACID-STABILISED INSULIN NOVO NORDISK A/S (DK) 2004-09-23 WO 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

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 FGFR1 850/4885ALDH1A1 4866/4885HPGD 3521/4885
US-20060069013-A1 Pharmaceutical preparations comprising acid-stabilised insulin IAPP, GPR119, INSR FGFR1 1433/4885ALDH1A1 4795/4885HPGD 2233/4885
US-20030229120-A1 Novel ligands for the hisb10 zn2+ sites of the r-state insulin hexamer IAPP, IRS1, GPR119 FGFR1 1981/4885ALDH1A1 4873/4885HPGD 3173/4885
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 FGFR1 665/4885ALDH1A1 4878/4885HPGD 4068/4885
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand IAPP, IRS1, HBB FGFR1 1506/4885ALDH1A1 4836/4885HPGD 3478/4885

“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.