SCHEMBL7869210

SCHEMBL7869210

Nc1cccc2c(SCCCCSc3c4ccccc4nc4c(N)cccc34)c3ccccc3nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.41
CYP1A2 P05177 1/20 0.41
ACHE P22303 3/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
BCHE P06276 2/20 0.40
GLA P06280 2/20 0.40
HPGD P15428 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
PTBP1 P26599 1/20 0.40
KMT2A Q03164 1/20 0.40
RCE1 Q9Y256 1/20 0.40
ABCB1 P08183 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CHRM2 P08172 1/20 0.39

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
SCHEMBL7874362 0.83 KDM1A (0.43) KDM1AACHEKDM4EALDH1A1BCHE
SCHEMBL7875736 0.83 ACHE (0.47) KDM1AACHEKDM4EALDH1A1BCHE
SCHEMBL7875759 0.79 KDM1A (0.46) KDM1AACHEKDM4EALDH1A1BCHE
SCHEMBL7875795 0.77 KDM1A (0.50) KDM1AACHEKDM4EALDH1A1BCHE
SCHEMBL2555891 0.77 DYRK3 (0.57) KDM1AACHEKDM4EALDH1A1BCHE
SCHEMBL7869236 0.75 KDM1A (0.48) KDM1ACYP1A2ACHEKDM4EALDH1A1
SCHEMBL11057014 0.74 CYP1A2 (0.68) KDM1ACYP1A2ACHEKDM4EALDH1A1
SCHEMBL8212483 0.73 TLR8 (0.39) KDM1ACYP1A2KDM4EALDH1A1GLA
SCHEMBL7869229 0.70 KDM1A (0.53) KDM1AACHEKDM4EALDH1A1GLA
SCHEMBL30717692 0.70 TOP2A (0.58) KDM1AKDM4EALDH1A1HPGDRAB9A

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 3 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-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 4459/4885CYP1A2 1182/4885ACHE 3066/4885

“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.