SCHEMBL7059459

SCHEMBL7059459

NCCCN1CCN(CCCNc2ccc3ncn4c5ccc(F)cc5c(=O)c2c34)CC1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 17/20 0.65
SMARCA2 P51531 2/20 0.52
NSD2 O96028 1/20 0.52
NQO1 P15559 2/20 0.51
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
ACP1 P24666 1/20 0.41

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
SCHEMBL753153 0.87 NQO2 (0.66) NQO2SMARCA2NSD2NQO1KEAP1
SCHEMBL13526629 0.84 NQO2 (0.67) NQO2SMARCA2NSD2NQO1KEAP1
SCHEMBL7220854 0.82 NQO2 (0.71) NQO2SMARCA2NSD2NQO1KEAP1
SCHEMBL7061286 0.82 NQO2 (0.52) NQO2SMARCA2NSD2NQO1KEAP1
SCHEMBL14291793 0.80 NQO2 (0.69) NQO2SMARCA2NSD2NQO1KEAP1
SCHEMBL13526641 0.80 NQO2 (0.80) NQO2SMARCA2NSD2NQO1KEAP1
SCHEMBL5132229 0.79 NQO2 (0.67) NQO2SMARCA2NSD2NQO1KEAP1
SCHEMBL13526628 0.79 NQO2 (1.00) NQO2SMARCA2NSD2NQO1KEAP1
SCHEMBL7059879 0.79 NQO2 (0.50) NQO2SMARCA2NSD2NQO1KEAP1
SCHEMBL13916795 0.78 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6664263-B2 Potent unsymmetrical DNA bifunctional intercalators THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2003-12-16 US disclosed
US-20030203916-A1 1,8-NAPHTHALIMIDE IMIDAZO{4,5,1-DE}ACRIDONES WITH ANTI-TUMOR ACTIVITY HEALTH AND HUMAN SERVICES, THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE DEARTMENT OF 2003-10-30 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-20030203916-A1 1,8-NAPHTHALIMIDE IMIDAZO{4,5,1-DE}ACRIDONES WITH ANTI-TUMOR ACTIVITY MKI67, CDKN1A, CCNA1 NQO2 140/4885SMARCA2 3646/4885NSD2 2930/4885

“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.