SCHEMBL4185472

SCHEMBL4185472

CC1CN(CCNc2ccc(NCCN3CC(C)OC3c3ccccc3)c3c2C(=O)c2c(NCCN4CC(C)OC4c4ccccc4)ccc(NCCN4CC(C)OC4c4ccccc4)c2C3=O)C(c2ccccc2)O1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
BLM P54132 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
NSD2 O96028 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
BRD4 O60885 3/20 0.33
KDM1A O60341 2/20 0.33
TOP2B Q02880 1/20 0.33
SRD5A1 P18405 1/20 0.32
HTT P42858 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL11174631 0.94 CYP19A1 (0.43) POLBBLMKMT2AMEN1NSD2
SCHEMBL4198995 0.78 MEN1 (0.37) POLBBLMKMT2AMEN1NSD2
SCHEMBL6441137 0.74 SLC18A3 (0.41) POLBBLMKMT2AKDM4EALDH1A1
SCHEMBL11178298 0.73 CYP19A1 (0.44) POLBBLMKMT2AMEN1NSD2
SCHEMBL6445634 0.71 SIGMAR1 (0.39) POLBBLMKDM4EALDH1A1TDP1
SCHEMBL4191462 0.71 NQO1 (0.38) POLBBLMKMT2AMEN1NSD2
SCHEMBL11171014 0.71 CYP19A1 (0.43) POLBBLMKMT2AMEN1NSD2
SCHEMBL4187451 0.69 CYP19A1 (0.35) POLBBLMKMT2AMEN1NSD2
SCHEMBL4190666 0.68 KMT2A (0.32) POLBBLMKMT2AMEN1NSD2
SCHEMBL11177829 0.67 CYP19A1 (0.48) POLBBLMKMT2AMEN1NSD2

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-20090156807-A1 Anti-tumor Compounds Derived From 1,4,5,8-tetrachloroanthraquinone ISHMAEL D RICHARD 2009-06-18 US claimed

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-20090156807-A1 Anti-tumor Compounds Derived From 1,4,5,8-tetrachloroanthraquinone CASP4, CASP8, CASP1 POLB 2943/4885BLM 2631/4885KMT2A 2406/4885

“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.