SCHEMBL1247437

SCHEMBL1247437

COc1ccc(NC(=O)c2ccc3[nH]nnc3c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.62
NPC1 O15118 11/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
MAPT P10636 3/20 0.62
TP53 P04637 3/20 0.62
KMT2A Q03164 4/20 0.60
ALOX15 P16050 1/20 0.58
MEN1 O00255 3/20 0.57
CASP3 P42574 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
XDH P47989 1/20 0.55
GPR35 Q9HC97 1/20 0.55
PLAU P00749 1/20 0.54
LMNA P02545 1/20 0.52
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
GAA P10253 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51

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
SCHEMBL1250046 0.89 NPC1 (0.52) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL1248942 0.86 CD40 (0.53) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL1247666 0.85 PGR (0.57) RAB9ANPC1TP53CASP3SENP7
SCHEMBL1248884 0.85 SMN1; SMN2 (0.57) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL1247454 0.84 MEN1 (0.55) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL1249079 0.84 CD40 (0.48) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL1249005 0.83 TP53 (0.54) RAB9ANPC1MAPTTP53KMT2A
SCHEMBL1247477 0.83 JAK2 (0.58) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL1249394 0.82 MAOB (0.64) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL1249033 0.82 TP53 (0.56) RAB9ANPC1SMN1; SMN2MAPTTP53

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 7 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-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

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 RAB9A 1951/4885NPC1 3787/4885SMN1; SMN2 2958/4885

“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.