SCHEMBL4940783

SCHEMBL4940783

Nc1cc(CO)cc(Nc2c3ccccc3nc3c(OCCCCN(CCCl)CCCl)cccc23)c1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 8/20 0.57
TOP2B Q02880 7/20 0.57
KDM1A O60341 7/20 0.44
PARP1 P09874 2/20 0.34
ACP1 P24666 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
POLB P06746 1/20 0.33
RAD52 P43351 1/20 0.33

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
SCHEMBL4937021 0.95 TOP2A (0.59) TOP2ATOP2BKDM1APARP1ACP1
SCHEMBL4941833 0.85 TOP2A (0.45) TOP2ATOP2BKDM1AACP1POLB
SCHEMBL15101599 0.82 KDM1A (0.48) TOP2ATOP2BKDM1APARP1ACHE
Hydrochloric Acid SCHEMBL4912480 0.81 KDM1A (0.48) TOP2ATOP2BKDM1APARP1POLB
SCHEMBL4937726 0.81 KDM1A (0.46) TOP2ATOP2BKDM1APARP1POLB
SCHEMBL3985902 0.80 TOP2A (0.71) TOP2ATOP2BKDM1APARP1POLB
SCHEMBL4938779 0.80 KDM1A (0.52) KDM1APOLBRAD52
SCHEMBL14116108 0.80 TOP2A (0.47) TOP2ATOP2BKDM1APARP1POLB
SCHEMBL4910290 0.78 TOP2A (0.55) TOP2ATOP2BKDM1AACHEPOLB
SCHEMBL4933388 0.77 KDM1A (0.49) TOP2ATOP2BKDM1APARP1POLB

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 TOP2A 5/4885TOP2B 7/4885KDM1A 1168/4885

“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.