SCHEMBL7880375

SCHEMBL7880375

Oc1ccc2nc3cc(Cl)ccc3c(NCCNc3c4ccc(Cl)cc4nc4ccc(O)cc34)c2c1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.60
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MBNL1 Q9NR56 1/20 0.52
GSR P00390 7/20 0.52
BCHE P06276 4/20 0.46
ACHE P22303 4/20 0.46
ERCC1 P07992 1/20 0.46
ERCC4 Q92889 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
Trifluoroacetic Acid SCHEMBL7878018 0.90 ADORA2A (0.52) ADORA2AMEN1KMT2ATDP1MBNL1
SCHEMBL7874381 0.89 ADORA2A (0.78) ADORA2AMEN1KMT2ATDP1MBNL1
SCHEMBL17423151 0.86 KMT2A (0.57) ADORA2AMEN1KMT2ATDP1MBNL1
SCHEMBL18231328 0.84 ADORA2A (0.52) ADORA2AMEN1KMT2ATDP1MBNL1
Trifluoroacetic Acid SCHEMBL7960593 0.82 ADORA2A (0.67) ADORA2AMEN1KMT2ATDP1MBNL1
SCHEMBL7875783 0.81 ACHE (0.63) MBNL1BCHEACHE
SCHEMBL29375789 0.81 ADORA2A (0.83) ADORA2AMEN1KMT2ATDP1MBNL1
SCHEMBL7875793 0.81 ADORA2A (0.83) ADORA2AMEN1KMT2ATDP1MBNL1
SCHEMBL7875727 0.79 MEN1 (0.56) ADORA2AMEN1KMT2ATDP1MBNL1
Trifluoroacetic Acid SCHEMBL30227214 0.79 ADORA2A (0.53) ADORA2AMEN1KMT2ATDP1MBNL1

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 5 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 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 ADORA2A 116/4885MEN1 4216/4885KMT2A 4287/4885

“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.