SCHEMBL1250640

SCHEMBL1250640

CCCCc1ccc(NC(=O)c2ccc3[nH]nnc3c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.55
KDM4E B2RXH2 2/20 0.53
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
GALR3 O60755 1/20 0.49
CD40 P25942 1/20 0.48
CD40LG P29965 1/20 0.48
GAA P10253 2/20 0.48
PRSS12 P56730 1/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 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
SCHEMBL1248884 0.85 SMN1; SMN2 (0.57) KDM4ENPC1RAB9AGAAMAPT
SCHEMBL1247471 0.85 NR1H4 (0.53) KDM4ECD40CD40LGMAPTPOLB
SCHEMBL1249952 0.82 KDM4E (0.56) KDM4ECD40CD40LGALDH1A1TP53
SCHEMBL1248942 0.82 CD40 (0.53) KDM4ENPC1RAB9ACD40CD40LG
SCHEMBL1247454 0.80 MEN1 (0.55) NPC1RAB9ACD40CD40LGMAPT
SCHEMBL1250046 0.80 NPC1 (0.52) NPC1RAB9ACD40CD40LGMAPT
SCHEMBL1249005 0.79 TP53 (0.54) NPC1RAB9ACD40CD40LGMAPT
SCHEMBL1247477 0.79 JAK2 (0.58) KDM4ENPC1RAB9ACD40CD40LG
SCHEMBL1247437 0.79 RAB9A (0.62) NPC1RAB9AGAAMAPTALDH1A1
SCHEMBL242265 0.77 HTR1A (0.41) NPC1RAB9ASMN1; SMN2TP53

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 8 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
EP-1585541-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING INSULIN AND LEGENDS OF INSULIN HEXAMER NOVO NORDISK A/S (DK) 2005-10-19 EP 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 (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 TRPV1 3188/4885KDM4E 4599/4885NPC1 3787/4885

“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.