SCHEMBL7880366

SCHEMBL7880366

c1ccc2c(NCCNc3c4ccccc4nc4ccccc34)c3ccccc3nc2c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 7/20 0.78
RAD52 P43351 6/20 0.78
RAB9A P51151 3/20 0.78
KDM4E B2RXH2 2/20 0.78
LMNA P02545 2/20 0.78
GLA P06280 2/20 0.78
GAA P10253 2/20 0.78
MITF O75030 1/20 0.78
ALDH1A1 P00352 1/20 0.78
TTR P02766 1/20 0.78
KMT2A Q03164 5/20 0.68
SLC2A1 P11166 8/20 0.66
NPC1 O15118 2/20 0.66
APOBEC3A P31941 1/20 0.66
APOBEC3G Q9HC16 1/20 0.66
CACNA2D1 P54289 1/20 0.60
HRH3 Q9Y5N1 1/20 0.58
KDM1A O60341 1/20 0.57
TOP2A P11388 3/20 0.57
GFER P55789 1/20 0.57

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
SCHEMBL7869214 0.91 POLB (0.79) POLBRAD52RAB9AKDM4ELMNA
SCHEMBL5578493 0.91 POLB (0.79) POLBRAD52RAB9AKDM4ELMNA
SCHEMBL30253677 0.90 POLB (0.66) POLBRAD52RAB9AKDM4ELMNA
SCHEMBL617240 0.90 POLB (0.66) POLBRAD52RAB9AKDM4ELMNA
SCHEMBL6033155 0.90 POLB (0.77) POLBRAD52RAB9AKDM4ELMNA
SCHEMBL13856923 0.90 POLB (0.77) POLBRAD52RAB9AKDM4ELMNA
SCHEMBL7628718 0.89 POLB (0.70) POLBRAD52RAB9AKDM4ELMNA
SCHEMBL8609424 0.88 POLB (0.68) POLBRAD52RAB9AKDM4ELMNA
SCHEMBL17154415 0.88 POLB (1.00) POLBRAD52RAB9AKDM4ELMNA
SCHEMBL20008617 0.87 POLB (0.68) POLBRAD52RAB9AKDM4ELMNA

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-20010031763-A1 Substituted bis-acridines and related compounds as CCR5 receptor ligands, anti-inflammatory agents and anti-viral agents SMITHKLINE BEECHAM CORPORATION 2001-10-18 US claimed
EP-0979078-A4 SUBSTITUTED BIS-ACRIDINES AND RELATED COMPOUNDS AS CCR5 RECEPTOR LIGANDS, ANTI-INFLAMMATORY AGENTS AND ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORP (US) 2000-06-21 EP claimed
EP-0979078-A1 SUBSTITUTED BIS-ACRIDINES AND RELATED COMPOUNDS AS CCR5 RECEPTOR LIGANDS, ANTI-INFLAMMATORY AGENTS AND ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-16 EP claimed
WO-1998030218-A1 SUBSTITUTED BIS-ACRIDINES AND RELATED COMPOUNDS AS CCR5 RECEPTOR LIGANDS, ANTI-INFLAMMATORY AGENTS AND ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 1998-07-16 WO claimed
US-20010031763-A1 Substituted bis-acridines and related compounds as CCR5 receptor ligands, anti-inflammatory agents and anti-viral agents SMITHKLINE BEECHAM CORPORATION 2001-10-18 US disclosed
US-6242459-B1 Substituted bis-acridines and related compounds as CCR5 receptor ligands, anti-inflammatory agents and anti-viral agents SMITHKLINE BEECHAM CORPORATION 2001-06-05 US disclosed
EP-0979078-A4 SUBSTITUTED BIS-ACRIDINES AND RELATED COMPOUNDS AS CCR5 RECEPTOR LIGANDS, ANTI-INFLAMMATORY AGENTS AND ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORP (US) 2000-06-21 EP disclosed
EP-0979078-A1 SUBSTITUTED BIS-ACRIDINES AND RELATED COMPOUNDS AS CCR5 RECEPTOR LIGANDS, ANTI-INFLAMMATORY AGENTS AND ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-16 EP disclosed
WO-1998030218-A1 SUBSTITUTED BIS-ACRIDINES AND RELATED COMPOUNDS AS CCR5 RECEPTOR LIGANDS, ANTI-INFLAMMATORY AGENTS AND ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 1998-07-16 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-20010031763-A1 Substituted bis-acridines and related compounds as CCR5 receptor ligands, anti-inflammatory agents and anti-viral agents CCR5, CCR2, CCR1 POLB 2481/4885RAD52 3064/4885RAB9A 1759/4885

“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.