SCHEMBL13928512

SCHEMBL13928512

NCCCNc1ccc2ncn3c4ccccc4c(=O)c1c23

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 18/20 0.76
SMARCA2 P51531 2/20 0.55
NSD2 O96028 1/20 0.55
NQO1 P15559 4/20 0.53
KEAP1 Q14145 1/20 0.52
NFE2L2 Q16236 1/20 0.52

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
SCHEMBL8958309 0.93 NQO2 (0.69) NQO2SMARCA2NSD2NQO1KEAP1
Hydrochloric Acid SCHEMBL18059764 0.93 NQO2 (0.68) NQO2SMARCA2NSD2NQO1KEAP1
SCHEMBL753153 0.90 NQO2 (0.66) NQO2SMARCA2NSD2NQO1KEAP1
SCHEMBL8958316 0.90 NQO2 (0.80) NQO2SMARCA2NSD2NQO1KEAP1
Hydrochloric Acid SCHEMBL18059770 0.89 NQO2 (0.79) NQO2SMARCA2NSD2NQO1KEAP1
SCHEMBL7220854 0.86 NQO2 (0.71) NQO2SMARCA2NSD2NQO1KEAP1
SCHEMBL13526718 0.85 NQO2 (0.70) NQO2SMARCA2NSD2NQO1KEAP1
SCHEMBL13526723 0.83 NQO2 (1.00) NQO2SMARCA2NSD2NQO1KEAP1
SCHEMBL13526727 0.83 NQO2 (1.00) NQO2SMARCA2NSD2NQO1KEAP1
SCHEMBL13916795 0.82 NQO2 (0.68) NQO2SMARCA2NSD2NQO1KEAP1

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-20090069220-A1 DNA-BINDING POLYAMIDE DRUG CONJUGATES GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPA (US) 2009-03-12 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-20090069220-A1 DNA-BINDING POLYAMIDE DRUG CONJUGATES TOP2B, ZYX, TOP2A NQO2 2354/4885SMARCA2 904/4885NSD2 1662/4885

“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.