SCHEMBL4199075

SCHEMBL4199075

O=C1c2c(NCCN3CCOC3c3cccc4ccccc34)ccc(NCCN3CCOC3c3cccc4ccccc34)c2C(=O)c2c(NCCN3CCOC3c3cccc4ccccc34)ccc(NCCN3CCOC3c3cccc4ccccc34)c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.38
DRD3 P35462 2/20 0.38
BCHE P06276 2/20 0.38
LMNA P02545 2/20 0.36
SMARCA2 P51531 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
SLC6A4 P31645 2/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
ACHE P22303 1/20 0.35
CA12 O43570 2/20 0.34
CA4 P22748 2/20 0.34
CA7 P43166 2/20 0.34
CA9 Q16790 2/20 0.34
CA14 Q9ULX7 2/20 0.34
CA3 P07451 1/20 0.34

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
SCHEMBL11179855 0.94 CYP19A1 (0.40) DRD2DRD3BCHELMNASMARCA2
SCHEMBL4190666 0.84 KMT2A (0.32) DRD2DRD3LMNASMARCA2KMT2A
SCHEMBL4198995 0.82 MEN1 (0.37) DRD3BCHELMNAKMT2AKDM4E
SCHEMBL4193611 0.80 SLC6A4 (0.38) DRD2DRD3BCHELMNASMARCA2
SCHEMBL11176580 0.79 CYP19A1 (0.41) DRD3LMNAKMT2AKDM4EL3MBTL1
SCHEMBL4191708 0.79 KMT2A (0.34) DRD2DRD3LMNASMARCA2KMT2A
SCHEMBL4189302 0.79 MEN1 (0.33) KMT2AALDH1A1MEN1POLB
SCHEMBL11178298 0.76 CYP19A1 (0.44) DRD3BCHELMNAKMT2AKDM4E
SCHEMBL4194353 0.76 CYP19A1 (0.32) DRD3LMNAKMT2AKDM4EL3MBTL1
SCHEMBL4194345 0.76 HTR1A (0.40) DRD2DRD3LMNAHDAC1HDAC8

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 DRD2 4391/4885DRD3 4033/4885BCHE 4554/4885

“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.