SCHEMBL7874362

SCHEMBL7874362

Nc1cccc2nc3ccccc3c(SCCCCSc3c4ccccc4nc4cccc(N)c34)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.43
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
GLA P06280 3/20 0.42
HPGD P15428 3/20 0.42
RAB9A P51151 3/20 0.42
POLB P06746 3/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
PTBP1 P26599 1/20 0.42
RCE1 Q9Y256 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ACHE P22303 2/20 0.42
CHRM2 P08172 1/20 0.42
ADRA2A P08913 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
SCHEMBL7869210 0.83 KDM1A (0.41) KDM1AALDH1A1KDM4EGLAHPGD
SCHEMBL7875736 0.82 ACHE (0.47) KDM1AALDH1A1KDM4EGLAHPGD
SCHEMBL7875759 0.78 KDM1A (0.46) KDM1AALDH1A1KDM4EGLAHPGD
SCHEMBL7875795 0.76 KDM1A (0.50) KDM1AALDH1A1KDM4EGLAHPGD
SCHEMBL2555891 0.76 DYRK3 (0.57) KDM1AALDH1A1KDM4EGLAHPGD
SCHEMBL7869236 0.74 KDM1A (0.48) KDM1AALDH1A1KDM4EGLAHPGD
SCHEMBL3458914 0.73 ALDH1A1 (0.65) KDM1AALDH1A1KDM4EGLAHPGD
Hydrochloric Acid SCHEMBL3242596 0.72 RAB9A (0.67) KDM1AALDH1A1KDM4EGLAHPGD
SCHEMBL27500599 0.69 KDM4E (0.53) KDM1AALDH1A1KDM4EGLAHPGD
SCHEMBL7869229 0.69 KDM1A (0.53) KDM1AALDH1A1KDM4EGLAHPGD

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-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
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 KDM1A 4459/4885ALDH1A1 2107/4885KDM4E 4247/4885

“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.