SCHEMBL4200315

SCHEMBL4200315

O=C1c2c(NCCN3CCOC3c3ccncc3)ccc(NCCN3CCOC3c3ccncc3)c2C(=O)c2c(NCCN3CCOC3c3ccncc3)ccc(NCCN3CCOC3c3ccncc3)c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 2/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
RAB9A P51151 2/20 0.33
BLM P54132 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP19A1 P11511 1/20 0.32
MEN1 O00255 1/20 0.30
SLC22A2 O15244 1/20 0.30
SLC22A1 O15245 1/20 0.30
CACNA1F O60840 1/20 0.30
USP2 O75604 1/20 0.30
SLC22A3 O75751 1/20 0.30
NSD2 O96028 1/20 0.30
EGFR P00533 1/20 0.30
ESR1 P03372 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
SCHEMBL11189998 0.94 CYP19A1 (0.43) KDM4ENPC1LMNAHTTRAB9A
SCHEMBL4198995 0.88 MEN1 (0.37) KDM4ENPC1LMNAHTTRAB9A
SCHEMBL4188789 0.86 KDM4E (0.35) KDM4ENPC1LMNAHTTRAB9A
SCHEMBL4186617 0.86 ALDH1A1 (0.32) NPC1LMNAHTTRAB9ABLM
SCHEMBL4191344 0.85 DRD2 (0.36) KDM4EMAPTL3MBTL1CYP3A4MAPK1
SCHEMBL4187405 0.83 ALDH1A1 (0.32) KDM4ELMNASMN1; SMN2MAPTL3MBTL1
SCHEMBL11178298 0.82 CYP19A1 (0.44) KDM4ENPC1LMNAHTTRAB9A
SCHEMBL11179999 0.81 LMNA (0.41) KDM4ENPC1LMNAHTTRAB9A
SCHEMBL4191708 0.81 KMT2A (0.34) LMNABLML3MBTL1MEN1NSD2
SCHEMBL11184772 0.80 CYP19A1 (0.43) KDM4ENPC1LMNAHTTRAB9A

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 1181/4885NPC1 4327/4885LMNA 1489/4885

“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.