SCHEMBL4188736

SCHEMBL4188736

CN(C)CCNc1ccc(NCCN(C)C)c2c1C(=O)c1c(NCCN(C)C)ccc(NCCN(C)C)c1C2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.49
NQO1 P15559 1/20 0.48
TOP2B Q02880 3/20 0.47
ALDH1A1 P00352 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
CYP19A1 P11511 1/20 0.46
TOP2A P11388 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 3/20 0.44
BLM P54132 3/20 0.44
KMT2A Q03164 3/20 0.44
USP2 O75604 2/20 0.44
LMNA P02545 2/20 0.44
TP53 P04637 2/20 0.44
MAPK1 P28482 2/20 0.44
RECQL P46063 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
HIF1A Q16665 2/20 0.44
NSD2 O96028 2/20 0.44
NPC1 O15118 1/20 0.44

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
Hydrochloric Acid SCHEMBL4197846 0.98 MALT1 (0.47) MALT1NQO1TOP2BALDH1A1NPSR1
SCHEMBL4189278 0.91 NQO1 (0.43) MALT1NQO1TOP2BALDH1A1NPSR1
SCHEMBL4200297 0.91 NQO1 (0.43) MALT1NQO1TOP2BALDH1A1NPSR1
SCHEMBL4200289 0.91 NPSR1 (0.44) MALT1NQO1TOP2BALDH1A1NPSR1
SCHEMBL4198000 0.91 SMN1; SMN2 (0.53) MALT1NQO1TOP2BALDH1A1NPSR1
SCHEMBL4196694 0.91 SMN1; SMN2 (0.53) MALT1NQO1TOP2BALDH1A1NPSR1
SCHEMBL3418628 0.90 THRB (0.45) MALT1NQO1TOP2BALDH1A1NPSR1
SCHEMBL3418071 0.90 CYP19A1 (0.62) MALT1NQO1TOP2BALDH1A1NPSR1
SCHEMBL11277491 0.90 CYP19A1 (0.62) MALT1NQO1TOP2BALDH1A1NPSR1
SCHEMBL11522777 0.90 CYP19A1 (0.62) MALT1NQO1TOP2BALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420861-B2 Anti-tumor compounds derived from 1,4,5,8-tetrachloroanthraquinone ISHMAEL D RICHARD (US) 2013-04-16 US claimed
US-20090156807-A1 Anti-tumor Compounds Derived From 1,4,5,8-tetrachloroanthraquinone ISHMAEL D RICHARD 2009-06-18 US claimed
US-8420861-B2 Anti-tumor compounds derived from 1,4,5,8-tetrachloroanthraquinone ISHMAEL D RICHARD (US) 2013-04-16 US disclosed
US-8420861-B2 Anti-tumor compounds derived from 1,4,5,8-tetrachloroanthraquinone ISHMAEL D RICHARD (US) 2013-04-16 US disclosed
US-8420861-B2 Anti-tumor compounds derived from 1,4,5,8-tetrachloroanthraquinone ISHMAEL D RICHARD (US) 2013-04-16 US disclosed
US-20090156807-A1 Anti-tumor Compounds Derived From 1,4,5,8-tetrachloroanthraquinone ISHMAEL D RICHARD 2009-06-18 US disclosed
US-20090156807-A1 Anti-tumor Compounds Derived From 1,4,5,8-tetrachloroanthraquinone ISHMAEL D RICHARD 2009-06-18 US disclosed
US-20090156807-A1 Anti-tumor Compounds Derived From 1,4,5,8-tetrachloroanthraquinone ISHMAEL D RICHARD 2009-06-18 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-20090156807-A1 Anti-tumor Compounds Derived From 1,4,5,8-tetrachloroanthraquinone CASP4, CASP8, CASP1 MALT1 178/4885NQO1 957/4885TOP2B 334/4885

“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.