SCHEMBL4933388

SCHEMBL4933388

ClCCN(CCCl)CCOc1cccc(Nc2c3ccccc3nc3c(OCCN(CCCl)CCCl)cccc23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 8/20 0.49
TOP2A P11388 1/20 0.41
TOP2B Q02880 1/20 0.41
AGER Q15109 1/20 0.41
POLB P06746 3/20 0.40
KMT2A Q03164 3/20 0.40
RAD52 P43351 2/20 0.40
MEN1 O00255 1/20 0.40
GFER P55789 1/20 0.40
YES1 P07947 1/20 0.39
SRC P12931 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PARP1 P09874 1/20 0.38
SLC2A1 P11166 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL4937726 0.96 KDM1A (0.46) KDM1ATOP2ATOP2BAGERPOLB
SCHEMBL4934135 0.92 KDM1A (0.48) KDM1ATOP2ATOP2BAGERPOLB
SCHEMBL4940719 0.91 KDM1A (0.55) KDM1APOLBKMT2ARAD52GFER
SCHEMBL4938779 0.87 KDM1A (0.52) KDM1APOLBKMT2ARAD52GFER
SCHEMBL4936777 0.85 KDM1A (0.46) KDM1ATOP2ATOP2BAGERPOLB
SCHEMBL15101599 0.84 KDM1A (0.48) KDM1ATOP2ATOP2BPOLBKMT2A
Hydrochloric Acid SCHEMBL4912480 0.84 KDM1A (0.48) KDM1ATOP2ATOP2BPOLBKMT2A
SCHEMBL4941833 0.82 TOP2A (0.45) KDM1ATOP2ATOP2BPOLBKMT2A
SCHEMBL4937021 0.82 TOP2A (0.59) KDM1ATOP2ATOP2BPOLBRAD52
SCHEMBL4941215 0.80 KMT2A (0.61) KDM1APOLBKMT2ARAD52MEN1

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-20080176889-A1 9-anilinoacridine alkylating agents ACADEMIA SINICA (TW) 2008-07-24 US disclosed
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 1168/4885TOP2A 5/4885TOP2B 7/4885

“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.