SCHEMBL1249005

SCHEMBL1249005

O=C(Nc1ccc(Br)cc1)c1ccc2[nH]nnc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.54
CD40 P25942 1/20 0.53
CD40LG P29965 1/20 0.53
KMT2A Q03164 8/20 0.51
MEN1 O00255 7/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
MAPT P10636 1/20 0.48
SAE1 Q9UBE0 1/20 0.48
UBA2 Q9UBT2 1/20 0.48
CASP3 P42574 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
MAOB P27338 1/20 0.48
POLB P06746 1/20 0.48
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
ESR1 P03372 1/20 0.47
ATM Q13315 1/20 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
SCHEMBL1247454 0.88 MEN1 (0.55) CD40CD40LGKMT2AMEN1NPC1
SCHEMBL1248942 0.86 CD40 (0.53) TP53CD40CD40LGKMT2AMEN1
SCHEMBL1247477 0.86 JAK2 (0.58) CD40CD40LGKMT2AMEN1NPC1
SCHEMBL1250572 0.86 MEN1 (0.60) TP53CD40CD40LGKMT2AMEN1
SCHEMBL1250046 0.84 NPC1 (0.52) TP53CD40CD40LGKMT2AMEN1
SCHEMBL1247437 0.83 RAB9A (0.62) TP53KMT2AMEN1NPC1RAB9A
SCHEMBL1249952 0.82 KDM4E (0.56) TP53CD40CD40LGKMT2AMEN1
SCHEMBL8966846 0.82 CD40 (0.50) TP53CD40CD40LGKMT2AMEN1
SCHEMBL1249809 0.81 CD40 (0.52) CD40CD40LGKMT2AMEN1NPC1
SCHEMBL1247666 0.81 PGR (0.57) TP53CD40CD40LGNPC1RAB9A

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 6 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-7879893-B2 Zinc binding ligand; sustained release of insulin NOVO NORDISK A/S (DK) 2011-02-01 US disclosed
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
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand NOVO NORDISK A/S (DK) 2009-05-14 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand IAPP, IRS1, HBB TP53 1924/4885CD40 1151/4885CD40LG 2028/4885

“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.