SCHEMBL4188740

SCHEMBL4188740

CN(C)c1ccc(NCCCl)c2c1C(=O)c1c(N(C)C)ccc(N(C)C)c1C2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.43
CYP19A1 P11511 1/20 0.40
MEN1 O00255 3/20 0.38
BLM P54132 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 3/20 0.38
MAPK1 P28482 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
NSD2 O96028 3/20 0.38
USP2 O75604 2/20 0.38
TP53 P04637 2/20 0.38
RECQL P46063 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 2/20 0.38
EGFR P00533 2/20 0.38
MTOR P42345 2/20 0.38
RAB9A P51151 2/20 0.38
SLC22A2 O15244 1/20 0.38
SLC22A1 O15245 1/20 0.38
CACNA1F O60840 1/20 0.38

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
SCHEMBL4200289 0.82 NPSR1 (0.44) NQO1CYP19A1MEN1BLMKMT2A
SCHEMBL4192991 0.76 CYP19A1 (0.44) CYP19A1MEN1BLMKMT2ALMNA
SCHEMBL18984670 0.74 ALDH1A1 (0.50) MEN1KMT2ALMNAMAPK1TDP1
SCHEMBL13800043 0.72 NPSR1 (0.42) NQO1CYP19A1MEN1BLMKMT2A
SCHEMBL4188736 0.72 MALT1 (0.49) NQO1CYP19A1MEN1BLMKMT2A
Hydrochloric Acid SCHEMBL4197846 0.70 MALT1 (0.47) NQO1CYP19A1MEN1BLMKMT2A
SCHEMBL14409248 0.66 NQO1 (0.52) NQO1CYP19A1MEN1BLMKMT2A
SCHEMBL16602198 0.66 CYP19A1 (0.56) CYP19A1MEN1BLMKMT2ALMNA
SCHEMBL4196694 0.66 SMN1; SMN2 (0.53) NQO1CYP19A1MEN1BLMKMT2A
SCHEMBL4189278 0.66 NQO1 (0.43) NQO1CYP19A1MEN1BLMKMT2A

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 NQO1 957/4885CYP19A1 2871/4885MEN1 2002/4885

“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.