SCHEMBL7875795

SCHEMBL7875795

Nc1ccc2c(SCCCCSc3c4ccccc4nc4cc(N)ccc34)c3ccccc3nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.50
HTR3A P46098 1/20 0.44
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GLA P06280 2/20 0.42
HPGD P15428 2/20 0.42
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
SMN1; SMN2 Q16637 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
ADORA3 P0DMS8 1/20 0.42
CHRM1 P11229 1/20 0.42
NQO2 P16083 1/20 0.42
MAOA P21397 1/20 0.42
DRD1 P21728 1/20 0.42
SLC6A2 P23975 1/20 0.42
ADRA1A P35348 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
SCHEMBL7869229 0.94 KDM1A (0.53) KDM1AHTR3AKDM4EALDH1A1GLA
SCHEMBL7875736 0.85 ACHE (0.47) KDM1AKDM4EALDH1A1GLAHPGD
SCHEMBL3362999 0.83 MEN1 (0.46) KDM1AHTR3ASMN1; SMN2LMNAKMT2A
SCHEMBL7875759 0.82 KDM1A (0.46) KDM1AKDM4EALDH1A1GLAHPGD
SCHEMBL2555891 0.79 DYRK3 (0.57) KDM1AKDM4EALDH1A1GLAHPGD
SCHEMBL7869236 0.78 KDM1A (0.48) KDM1AKDM4EALDH1A1GLAHPGD
SCHEMBL7869210 0.77 KDM1A (0.41) KDM1AKDM4EALDH1A1GLAHPGD
SCHEMBL4163642 0.77 KDM4E (0.72) KDM1AHTR3AKDM4EALDH1A1GLA
SCHEMBL7874362 0.76 KDM1A (0.43) KDM1AKDM4EALDH1A1GLAHPGD
SCHEMBL8212730 0.76 KDM1A (0.50) KDM1AHTR3AKDM4EALDH1A1GLA

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 2 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

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 4459/4885HTR3A 215/4885KDM4E 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.