SCHEMBL7869236

SCHEMBL7869236

c1ccc2c(SCCSc3c4ccccc4nc4ccccc34)c3ccccc3nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.48
ALDH1A1 P00352 7/20 0.48
KDM4E B2RXH2 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
HPGD P15428 3/20 0.48
GLA P06280 3/20 0.48
MAOA P21397 2/20 0.48
CASP1 P29466 2/20 0.48
CASP7 P55210 2/20 0.48
HSD17B10 Q99714 2/20 0.48
CHRM2 P08172 1/20 0.48
ADRA2A P08913 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CHRM1 P11229 1/20 0.48
NQO2 P16083 1/20 0.48
DRD1 P21728 1/20 0.48
ACHE P22303 1/20 0.48
SLC6A2 P23975 1/20 0.48
ADRA1A P35348 1/20 0.48
OPRM1 P35372 1/20 0.48

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
SCHEMBL7875736 0.91 ACHE (0.47) KDM1AALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL7875759 0.91 KDM1A (0.46) KDM1AALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL2555891 0.85 DYRK3 (0.57) KDM1AALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL7869229 0.84 KDM1A (0.53) KDM1AALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL11128635 0.78 MEN1 (0.50) KDM1AALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL7875795 0.78 KDM1A (0.50) KDM1AALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL7869210 0.75 KDM1A (0.41) KDM1AALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL17423359 0.74 KDM4E (0.50) KDM1AALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL7874362 0.74 KDM1A (0.43) KDM1AALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL14130585 0.73 KDM4E (0.61) KDM1AALDH1A1KDM4ESMN1; SMN2HPGD

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 claimed
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 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.