SCHEMBL4096357

SCHEMBL4096357

Clc1ccc(Cn2ccc3cc(-c4nn[nH]n4)ccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 1/20 0.52
PLA2G4A P47712 1/20 0.49
KDM4C Q9H3R0 2/20 0.49
GRM2 Q14416 1/20 0.47
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
CXCR3 P49682 1/20 0.46
PLG P00747 1/20 0.45
PLAU P00749 1/20 0.45
IDO1 P14902 1/20 0.45
RHEB Q15382 1/20 0.45
AGTR1 P30556 2/20 0.43
AGTR2 P50052 2/20 0.43
KDM5B Q9UGL1 1/20 0.43
TP53 P04637 1/20 0.43
CCR2 P41597 1/20 0.42
PDE3B Q13370 1/20 0.42

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
SCHEMBL4089239 0.89 PLA2G4A (0.51) PLA2G4AGRM2HDAC3HDAC1HDAC2
SCHEMBL1250934 0.89 GP6 (0.51) PLA2G4AGRM2PLGPLAUIDO1
SCHEMBL1248028 0.89 ATM (0.51) PLA2G4AKDM4CGRM2PLGPLAU
SCHEMBL4088566 0.89 GRM2 (0.49) PLA2G4AKDM4CGRM2HDAC3HDAC1
SCHEMBL12914817 0.89 PLA2G4A (0.48) PLA2G4AKDM4CGRM2PLGPLAU
SCHEMBL1250386 0.89 GRM2 (0.48) PLA2G4AGRM2PLGPLAUIDO1
SCHEMBL4102508 0.89 IDO1 (0.53) RPA1PLA2G4AKDM4CGRM2CXCR3
SCHEMBL4105676 0.89 TP53 (0.54) PLA2G4AGRM2PLGPLAUAGTR1
SCHEMBL12892289 0.88 PLA2G4A (0.50) PLA2G4AGRM2HDAC3HDAC1HDAC2
SCHEMBL4103980 0.87 GRM2 (0.48) PLA2G4AKDM4CGRM2PLGPLAU

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 9 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-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
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
US-20060069013-A1 Pharmaceutical preparations comprising acid-stabilised insulin NOVO NORDISK A/S (DK) 2006-03-30 US 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

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 RPA1 1658/4885PLA2G4A 4850/4885KDM4C 4761/4885
US-20060069013-A1 Pharmaceutical preparations comprising acid-stabilised insulin IAPP, GPR119, INSR RPA1 1133/4885PLA2G4A 4116/4885KDM4C 4833/4885
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 RPA1 984/4885PLA2G4A 4510/4885KDM4C 4700/4885
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand IAPP, IRS1, HBB RPA1 808/4885PLA2G4A 4747/4885KDM4C 4582/4885

“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.