SCHEMBL4198995

SCHEMBL4198995

O=C1c2c(NCCN3CCOC3c3ccccc3)ccc(NCCN3CCOC3c3ccccc3)c2C(=O)c2c(NCCN3CCOC3c3ccccc3)ccc(NCCN3CCOC3c3ccccc3)c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
NSD2 O96028 3/20 0.37
BLM P54132 3/20 0.37
POLB P06746 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
BCHE P06276 1/20 0.35
HTR1A P08908 1/20 0.34
TOP2B Q02880 1/20 0.34
TERT O14746 2/20 0.33
MALT1 Q9UDY8 1/20 0.33
NPC1 O15118 2/20 0.33
MTOR P42345 2/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
CYP19A1 P11511 1/20 0.33
NQO1 P15559 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
SCHEMBL11178298 0.93 CYP19A1 (0.44) MEN1KMT2ANSD2BLMPOLB
SCHEMBL4191462 0.93 NQO1 (0.38) MEN1KMT2ANSD2BLMPOLB
SCHEMBL4186617 0.88 ALDH1A1 (0.32) MEN1KMT2ANSD2BLMNPC1
SCHEMBL4200315 0.88 KDM4E (0.42) MEN1KMT2ANSD2BLML3MBTL1
SCHEMBL11171014 0.87 CYP19A1 (0.43) MEN1KMT2ANSD2BLMPOLB
SCHEMBL11177829 0.87 CYP19A1 (0.48) MEN1KMT2ANSD2BLMPOLB
SCHEMBL4193611 0.86 SLC6A4 (0.38) MEN1KMT2APOLBCYP2C19L3MBTL1
SCHEMBL4188789 0.86 KDM4E (0.35) MEN1KMT2ABLML3MBTL1NPC1
SCHEMBL4187405 0.85 ALDH1A1 (0.32) MEN1KMT2ACYP2C19L3MBTL1ALDH1A1
SCHEMBL4191344 0.85 DRD2 (0.36) KMT2AL3MBTL1ALDH1A1MAPK1CYP3A4

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 MEN1 2002/4885KMT2A 2406/4885NSD2 4029/4885

“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.