SCHEMBL4193002

SCHEMBL4193002

CC(N)Nc1ccc(NC(C)N)c2c1C(=O)c1c(NC(C)N)ccc(NC(C)N)c1C2=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.33
CYP19A1 P11511 1/20 0.31
CCNE2 O96020 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
EGFR P00533 1/20 0.31
MAPT P10636 1/20 0.31
PABPC1 P11940 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
MMP14 P50281 1/20 0.30
NSD2 O96028 1/20 0.30
POLB P06746 1/20 0.30
BLM P54132 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL4198601 0.88 MAPT (0.46) THRBEGFRMAPTPABPC1MAPK1
SCHEMBL18984702 0.81 IDO1 (0.41) THRBCYP19A1EGFRMAPTPABPC1
SCHEMBL8788976 0.79 MAOA (0.47) CCNE2CCNE1CDK2MAPTMAPK1
SCHEMBL30102545 0.75 MAPT (0.64) CCNE2CCNE1CDK2EGFRMAPT
SCHEMBL30102541 0.75 MAPT (0.64) CCNE2CCNE1CDK2EGFRMAPT
SCHEMBL4188731 0.74 MALT1 (0.32) POLB
Hydrochloric Acid SCHEMBL4197844 0.72 TERT (0.31)
SCHEMBL11805185 0.71 IDO1 (0.50) THRBCYP19A1EGFRMAPTPABPC1
SCHEMBL9619896 0.71 IDO1 (0.34) MAPTTDP1MEN1KMT2A
SCHEMBL30039621 0.70 MEN1 (0.52) THRBEGFRMAPTPABPC1MAPK1

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 2 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 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 THRB 3889/4885CYP19A1 2871/4885CCNE2 550/4885

“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.