SCHEMBL6503570

SCHEMBL6503570

O=C1C(Cl)=C(NCCCN2CCN(CCCNc3ccc4ncn5c6ccccc6c(=O)c3c45)CC2)C(=O)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 15/20 0.58
NSD2 O96028 3/20 0.45
APAF1 O14727 2/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
BLM P54132 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SMARCA2 P51531 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NQO1 P15559 2/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
LMNA P02545 1/20 0.39
CDC25A P30304 1/20 0.39

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
SCHEMBL6502756 0.90 NQO2 (0.56) NQO2NSD2SMARCA2NQO1KEAP1
SCHEMBL7220854 0.89 NQO2 (0.71) NQO2NSD2SMARCA2NQO1KEAP1
SCHEMBL6508268 0.86 NQO2 (0.51) NQO2NSD2SMARCA2NQO1KEAP1
SCHEMBL753153 0.84 NQO2 (0.66) NQO2NSD2SMARCA2NQO1KEAP1
SCHEMBL13916795 0.84 NQO2 (0.68) NQO2NSD2SMARCA2NQO1KEAP1
SCHEMBL13916807 0.81 NQO2 (0.64) NQO2NSD2SMARCA2NQO1KEAP1
SCHEMBL753152 0.81 NQO2 (0.61) NQO2NSD2SMARCA2NQO1KEAP1
SCHEMBL7062442 0.77 NQO2 (0.52) NQO2NSD2MAPTRAB9ANPSR1
SCHEMBL13928512 0.76 NQO2 (0.76) NQO2NSD2SMARCA2NQO1KEAP1
SCHEMBL29406123 0.75 NQO2 (0.49) NQO2NSD2MAPTHTTRAB9A

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-20050032794-A1 Diamine derivatives of quinone and uses thereof CLINICAL DATA, INC. 2005-02-10 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-20050032794-A1 Diamine derivatives of quinone and uses thereof NQO1, DPYD, NQO2 NQO2 3/4885NSD2 609/4885APAF1 3860/4885

“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.