SCHEMBL4189302

SCHEMBL4189302

O=C1c2c(NCCN3CCOC3c3c(Cl)cccc3Cl)ccc(NCCN3CCOC3c3c(Cl)cccc3Cl)c2C(=O)c2c(NCCN3CCOC3c3c(Cl)cccc3Cl)ccc(NCCN3CCOC3c3c(Cl)cccc3Cl)c21

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
NSD2 O96028 2/20 0.33
KMT2A Q03164 2/20 0.33
APAF1 O14727 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
GSK3B P49841 1/20 0.31
CYP19A1 P11511 1/20 0.31
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31
POLB P06746 1/20 0.30
BLM P54132 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
ALDH1A1 P00352 1/20 0.30
OPRL1 P41146 2/20 0.30
OPRM1 P35372 1/20 0.30
OPRK1 P41145 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
SCHEMBL11178000 0.94 CYP19A1 (0.42) MEN1NSD2KMT2AAPAF1CYP1A2
SCHEMBL4194353 0.83 CYP19A1 (0.32) MEN1NSD2KMT2ACYP1A2CYP2D6
SCHEMBL4198995 0.82 MEN1 (0.37) MEN1NSD2KMT2AAPAF1CYP1A2
SCHEMBL4199075 0.79 DRD2 (0.38) MEN1KMT2APOLBALDH1A1
SCHEMBL4190666 0.78 KMT2A (0.32) MEN1NSD2KMT2AAPAF1CYP19A1
SCHEMBL4197474 0.78 KDM4E (0.35) MEN1NSD2KMT2ACYP19A1POLB
SCHEMBL11184971 0.78 CYP19A1 (0.43) MEN1NSD2KMT2ACYP1A2CYP2D6
SCHEMBL4186617 0.78 ALDH1A1 (0.32) MEN1NSD2KMT2ACYP1A2CYP2D6
SCHEMBL4200315 0.78 KDM4E (0.42) MEN1NSD2KMT2ACYP1A2CYP2D6
SCHEMBL4191708 0.77 KMT2A (0.34) MEN1NSD2KMT2APIK3CAPOLB

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 MEN1 2002/4885NSD2 4029/4885KMT2A 2406/4885

“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.