SCHEMBL7877681

SCHEMBL7877681

COc1ccc2nc3cc(Cl)ccc3c(C)c2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.67
▸ PHLPP2 Q6ZVD8 2/20 0.55
▸ ADORA2A P29274 1/20 0.55
▸ CYP19A1 P11511 1/20 0.55
▸ KMT2A Q03164 3/20 0.54
▸ TDP1 Q9NUW8 3/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ MBNL1 Q9NR56 1/20 0.53
▸ MAPT P10636 2/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.52
▸ GAA P10253 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ GPR55 Q9Y2T6 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ SLC2A1 P11166 1/20 0.51
▸ APP P05067 2/20 0.50
▸ USP2 O75604 2/20 0.49
▸ TP53 P04637 2/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ CASP1 P29466 2/20 0.49

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
SCHEMBL31038657 0.86 KDM4E (0.68) KDM4EPHLPP2ADORA2ACYP19A1KMT2A
SCHEMBL30603139 0.86 KDM4E (0.68) KDM4EPHLPP2ADORA2ACYP19A1KMT2A
SCHEMBL2448633 0.86 KDM4E (0.68) KDM4EPHLPP2ADORA2ACYP19A1KMT2A
SCHEMBL6778691 0.85 APP (0.69) KDM4EPHLPP2ADORA2ACYP19A1KMT2A
SCHEMBL9641759 0.84 KDM4E (0.65) KDM4EPHLPP2ADORA2ACYP19A1KMT2A
SCHEMBL12488031 0.84 APP (0.70) KDM4EPHLPP2ADORA2ACYP19A1KMT2A
SCHEMBL29445571 0.84 APP (0.70) KDM4EPHLPP2ADORA2ACYP19A1KMT2A
SCHEMBL106725 0.84 APP (0.70) KDM4EPHLPP2ADORA2ACYP19A1KMT2A
SCHEMBL29365544 0.84 APP (0.70) KDM4EPHLPP2ADORA2ACYP19A1KMT2A
SCHEMBL29979287 0.84 KDM4E (0.65) KDM4EPHLPP2ADORA2ACYP19A1KMT2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023225631-A1 INTERCALATING SUGAR MOLECULES XALUD THERAPEUTICS, INC. (US) 2023-11-23 — — WO disclosed
US-9044478-B2 Use of 1,4-bis (3-aminoalkyl) piperazine derivatives in the treatment of neurodegenerative diseases INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2015-06-02 — — US disclosed
US-9044478-B2 Use of 1,4-bis (3-aminoalkyl) piperazine derivatives in the treatment of neurodegenerative diseases INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2015-06-02 — — US disclosed
US-20090149464-A1 Use of 1,4-bis (3-aminoalkyl) piperazine derivatives in the treatment of neurodegenerative diseases UNIVERSITE DU DROIT ET DE LA SANTE- LILLE II (FR) 2009-06-11 — — US disclosed
US-20090149464-A1 Use of 1,4-bis (3-aminoalkyl) piperazine derivatives in the treatment of neurodegenerative diseases UNIVERSITE DU DROIT ET DE LA SANTE- LILLE II (FR) 2009-06-11 — — US disclosed
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 (2 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 KDM4E 4247/4885PHLPP2 2108/4885ADORA2A 116/4885
US-20090149464-A1 Use of 1,4-bis (3-aminoalkyl) piperazine derivatives in the treatment of neurodegenerative diseases PSEN1, PSEN2, SNCA KDM4E 759/4885PHLPP2 279/4885ADORA2A 274/4885

“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.

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