SCHEMBL4194353

SCHEMBL4194353

O=C1c2c(NCCN3CCOC3c3c(F)c(F)c(F)c(F)c3F)ccc(NCCN3CCOC3c3c(F)c(F)c(F)c(F)c3F)c2C(=O)c2c(NCCN3CCOC3c3c(F)c(F)c(F)c(F)c3F)ccc(NCCN3CCOC3c3c(F)c(F)c(F)c(F)c3F)c21

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.32
MEN1 O00255 2/20 0.31
USP2 O75604 2/20 0.31
LMNA P02545 2/20 0.31
TP53 P04637 2/20 0.31
MAPK1 P28482 2/20 0.31
RECQL P46063 2/20 0.31
BLM P54132 2/20 0.31
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
NPC1 O15118 1/20 0.31
SLC22A2 O15244 1/20 0.31
SLC22A1 O15245 1/20 0.31
CACNA1F O60840 1/20 0.31
SLC22A3 O75751 1/20 0.31
NSD2 O96028 1/20 0.31
EGFR P00533 1/20 0.31
ESR1 P03372 1/20 0.31
ERBB2 P04626 1/20 0.31

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
SCHEMBL11184971 0.93 CYP19A1 (0.43) CYP19A1MEN1USP2LMNATP53
SCHEMBL4186617 0.84 ALDH1A1 (0.32) CYP19A1MEN1USP2LMNATP53
SCHEMBL4189302 0.83 MEN1 (0.33) CYP19A1MEN1BLMKMT2ANSD2
SCHEMBL4198995 0.81 MEN1 (0.37) CYP19A1MEN1USP2LMNATP53
SCHEMBL4200315 0.80 KDM4E (0.42) CYP19A1MEN1USP2LMNATP53
SCHEMBL11184772 0.79 CYP19A1 (0.43) CYP19A1MEN1USP2LMNATP53
SCHEMBL4187451 0.78 CYP19A1 (0.35) CYP19A1MEN1USP2LMNATP53
SCHEMBL11178000 0.78 CYP19A1 (0.42) CYP19A1MEN1USP2LMNATP53
SCHEMBL4190666 0.78 KMT2A (0.32) CYP19A1MEN1LMNABLMKMT2A
SCHEMBL4191708 0.77 KMT2A (0.34) MEN1LMNABLMKMT2ANSD2

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 CYP19A1 2871/4885MEN1 2002/4885USP2 2424/4885

“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.