SCHEMBL7062442

SCHEMBL7062442

Nc1cc2c3c(cccc3c1)C(=O)N(CCCN1CCN(CCCNc3ccc4ncn5c6ccccc6c(=O)c3c45)CC1)C2=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 13/20 0.52
MEN1 O00255 2/20 0.46
POLB P06746 2/20 0.46
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MAPT P10636 1/20 0.46
AHR P35869 1/20 0.46
RECQL P46063 1/20 0.46
RAB9A P51151 1/20 0.46
SMARCA2 P51531 2/20 0.41
NSD2 O96028 1/20 0.41
HTR1A P08908 2/20 0.40
DRD2 P14416 2/20 0.40
HTR2A P28223 2/20 0.40
HTR7 P34969 2/20 0.40
HTR6 P50406 2/20 0.40
NQO1 P15559 1/20 0.40
CYP1A2 P05177 1/20 0.40
TNNI3 P19429 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL7059590 0.92 NQO2 (0.54) NQO2MEN1POLBKMT2ANPSR1
SCHEMBL7061286 0.92 NQO2 (0.52) NQO2MEN1POLBKMT2ANPSR1
SCHEMBL7064273 0.90 MEN1 (0.42) NQO2MEN1POLBKMT2ANPSR1
SCHEMBL7064396 0.89 NQO2 (0.49) NQO2MEN1POLBKMT2AMAPT
SCHEMBL29406123 0.89 NQO2 (0.49) NQO2MEN1POLBKMT2AMAPT
SCHEMBL7060955 0.88 NQO2 (0.62) NQO2MEN1POLBKMT2ANPSR1
SCHEMBL7220854 0.83 NQO2 (0.71) NQO2SMARCA2NSD2NQO1KEAP1
SCHEMBL753153 0.81 NQO2 (0.66) NQO2SMARCA2NSD2NQO1KEAP1
SCHEMBL7059879 0.81 NQO2 (0.50) NQO2MEN1POLBKMT2AMAPT
SCHEMBL7064402 0.81 NQO2 (0.51) NQO2MEN1POLBKMT2AMAPT

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 5 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 claimed
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 claimed
EP-1265898-B1 1,8-NAPHTHALIMIDE IMIDAZO 4,5,1- i de /i ]ACRIDONES WITH ANTI-TUMOR ACTIVITY US GOV HEALTH & HUMAN SERV (US) 2003-09-24 EP claimed
US-20160067241-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS INCLUDING SUBSTITUTED NAPHTHALIMIDES SUCH AS AMONAFIDE FOR THE TREATMENT OF IMMUNOLOGICAL, METABOLIC, INFECTIOUS, AND BENIGN OR NEOPLASTIC HYPERPROLIFERATIVE DISEASE CONDITIONS BROWN DENNIS M (US) 2016-03-10 US disclosed
WO-2014179528-A2 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS INCLUDING SUBSTITUTED NAPHTHALIMIDES SUCH AS AMONAFIDE FOR THE TREATMENT OF IMMUNOLOGICAL, METABOLIC, INFECTIOUS, AND BENIGN OR NEOPLASTIC HYPERPROLIFERATIVE DISEASE CONDITIONS BROWN DENNIS M (US) 2014-11-06 WO 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 (2 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-20160067241-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS INCLUDING SUBSTITUTED NAPHTHALIMIDES SUCH AS AMONAFIDE FOR THE TREATMENT OF IMMUNOLOGICAL, METABOLIC, INFECTIOUS, AND BENIGN OR NEOPLASTIC HYPERPROLIFERATIVE DISEASE CONDITIONS MYC, NME2, TP53 NQO2 64/4885MEN1 314/4885POLB 1283/4885
US-20030203916-A1 1,8-NAPHTHALIMIDE IMIDAZO{4,5,1-DE}ACRIDONES WITH ANTI-TUMOR ACTIVITY MKI67, CDKN1A, CCNA1 NQO2 140/4885MEN1 810/4885POLB 2913/4885

“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.