SCHEMBL14409248

SCHEMBL14409248

CN(C)CCNc1ccc(NCCN(CCCl)CCCl)c2c1C(=O)c1c(O)ccc(O)c1C2=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 2/20 0.52
CYP19A1 P11511 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
HIF1A Q16665 3/20 0.49
MEN1 O00255 2/20 0.49
USP2 O75604 2/20 0.49
LMNA P02545 2/20 0.49
TP53 P04637 2/20 0.49
MAPK1 P28482 2/20 0.49
RECQL P46063 2/20 0.49
BLM P54132 2/20 0.49
KMT2A Q03164 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
TOP2A P11388 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
NPC1 O15118 2/20 0.49
MTOR P42345 2/20 0.49
RAB9A P51151 2/20 0.49

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
Hydrochloric Acid SCHEMBL5424441 0.99 NQO1 (0.51) NQO1CYP19A1SMN1; SMN2HIF1AMEN1
SCHEMBL14466495 0.93 NQO1 (0.47) NQO1CYP19A1SMN1; SMN2HIF1AMEN1
SCHEMBL13800043 0.92 NPSR1 (0.42) NQO1CYP19A1SMN1; SMN2HIF1AMEN1
SCHEMBL30513721 0.89 CYP19A1 (0.62) NQO1CYP19A1SMN1; SMN2HIF1AMEN1
SCHEMBL29527683 0.89 CYP19A1 (0.62) NQO1CYP19A1SMN1; SMN2HIF1AMEN1
SCHEMBL3148984 0.89 CYP19A1 (0.62) NQO1CYP19A1SMN1; SMN2HIF1AMEN1
SCHEMBL11522777 0.89 CYP19A1 (0.62) NQO1CYP19A1SMN1; SMN2HIF1AMEN1
SCHEMBL11277491 0.89 CYP19A1 (0.62) NQO1CYP19A1SMN1; SMN2HIF1AMEN1
SCHEMBL3418071 0.89 CYP19A1 (0.62) NQO1CYP19A1SMN1; SMN2HIF1AMEN1
SCHEMBL1202596 0.89 CYP19A1 (0.62) NQO1CYP19A1SMN1; SMN2HIF1AMEN1

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-20070208085-A1 Potent cytotoxicity and inhibition of pan-cell cycle progression by an alkylating anthraquinone SOMANTA LIMITED (GB) 2007-09-06 US disclosed
US-20070208085-A1 Potent cytotoxicity and inhibition of pan-cell cycle progression by an alkylating anthraquinone SOMANTA LIMITED (GB) 2007-09-06 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-20070208085-A1 Potent cytotoxicity and inhibition of pan-cell cycle progression by an alkylating anthraquinone BOD1L1, CDC25C, CCNI NQO1 465/4885CYP19A1 2347/4885SMN1; SMN2 4219/4885

“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.