SCHEMBL4197474

SCHEMBL4197474

O=C1c2c(NCCN3CCOC3c3cccs3)ccc(NCCN3CCOC3c3cccs3)c2C(=O)c2c(NCCN3CCOC3c3cccs3)ccc(NCCN3CCOC3c3cccs3)c21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.32
NSD2 O96028 1/20 0.32
POLB P06746 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
DRD2 P14416 2/20 0.32
DRD3 P35462 2/20 0.32
GAA P10253 1/20 0.32
RORC P51449 1/20 0.31
ALDH1A1 P00352 2/20 0.30
HPGD P15428 1/20 0.30
CASP1 P29466 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CYP19A1 P11511 1/20 0.30
BRD4 O60885 1/20 0.30
BRDT Q58F21 1/20 0.30

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
SCHEMBL11173719 0.94 CYP19A1 (0.41) KDM4ETSHRHTTMEN1NSD2
SCHEMBL4200315 0.79 KDM4E (0.42) KDM4EHTTMEN1NSD2BLM
SCHEMBL4189302 0.78 MEN1 (0.33) MEN1NSD2POLBBLMKMT2A
SCHEMBL4194353 0.78 CYP19A1 (0.32) KDM4EHTTMEN1NSD2POLB
SCHEMBL4186617 0.77 ALDH1A1 (0.32) HTTMEN1NSD2BLMKMT2A
SCHEMBL4191708 0.76 KMT2A (0.34) MEN1NSD2POLBBLMKMT2A
SCHEMBL4188789 0.76 KDM4E (0.35) KDM4ETSHRHTTMEN1BLM
SCHEMBL4193611 0.76 SLC6A4 (0.38) KDM4EMEN1POLBKMT2ADRD2
SCHEMBL4199075 0.76 DRD2 (0.38) KDM4ETSHRMEN1POLBKMT2A
SCHEMBL4187451 0.75 CYP19A1 (0.35) KDM4EHTTMEN1NSD2POLB

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 KDM4E 1181/4885TSHR 4677/4885HTT 1313/4885

“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.