SCHEMBL4937730

SCHEMBL4937730

ClCCN(CCCl)CCCCOc1ccc2c(Nc3ccccc3)c3ccccc3nc2c1OCCN(CCCl)CCCl

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 13/20 0.41
POLB P06746 3/20 0.37
RAD52 P43351 3/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SLC2A1 P11166 1/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
HTR1B P28222 1/20 0.35
GFER P55789 1/20 0.34
CACNA2D1 P54289 1/20 0.34

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
SCHEMBL4938779 0.84 KDM1A (0.52) KDM1APOLBRAD52KMT2AKDM4E
SCHEMBL4937726 0.83 KDM1A (0.46) KDM1APOLBRAD52KMT2AKDM4E
SCHEMBL4940719 0.79 KDM1A (0.55) KDM1APOLBRAD52KMT2AKDM4E
SCHEMBL4933388 0.78 KDM1A (0.49) KDM1APOLBRAD52KMT2AKDM4E
SCHEMBL4948317 0.78 POLB (0.58) KDM1APOLBRAD52KMT2AKDM4E
SCHEMBL4941215 0.76 KMT2A (0.61) KDM1APOLBRAD52KMT2AKDM4E
SCHEMBL4936777 0.76 KDM1A (0.46) KDM1APOLBRAD52KMT2AKDM4E
SCHEMBL4940783 0.73 TOP2A (0.57) KDM1APOLBRAD52
SCHEMBL4934135 0.73 KDM1A (0.48) KDM1APOLBRAD52KMT2AKDM4E
SCHEMBL14116111 0.72 KDM1A (0.41) KDM1APOLBRAD52KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176889-A1 9-anilinoacridine alkylating agents ACADEMIA SINICA (TW) 2008-07-24 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-20080176889-A1 9-anilinoacridine alkylating agents BCL9, MCL1, BCL9L KDM1A 1168/4885POLB 178/4885RAD52 1154/4885

“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.