SCHEMBL7064396

SCHEMBL7064396

O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1CCCN1CCN(CCCNc2ccc3ncn4c5ccccc5c(=O)c2c34)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 11/20 0.49
PABPC1 P11940 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
S1PR1 P21453 1/20 0.49
HTT P42858 1/20 0.49
RAD52 P43351 1/20 0.49
RECQL P46063 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
PAX8 Q06710 1/20 0.49
FTO Q9C0B1 2/20 0.46
HTR1A P08908 2/20 0.42
LCK P06239 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41
HTR6 P50406 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
SCHEMBL29406123 1.00 NQO2 (0.49) NQO2PABPC1KDM4EMEN1POLB
SCHEMBL7059879 0.92 NQO2 (0.50) NQO2PABPC1KDM4EMEN1POLB
SCHEMBL7064402 0.92 NQO2 (0.51) NQO2PABPC1KDM4EMEN1POLB
SCHEMBL7061291 0.91 PABPC1 (0.45) NQO2PABPC1KDM4EMEN1POLB
SCHEMBL7062442 0.89 NQO2 (0.52) NQO2MEN1POLBMAPTRECQL
SCHEMBL7059923 0.88 NQO2 (0.58) NQO2PABPC1KDM4EMEN1POLB
SCHEMBL7220854 0.81 NQO2 (0.71) NQO2NSD2SMARCA2
SCHEMBL7064295 0.81 NQO2 (0.56) NQO2PABPC1FTOLCKNSD2
SCHEMBL7062444 0.81 NQO2 (0.58) NQO2PABPC1FTOLCKNSD2
SCHEMBL7061286 0.81 NQO2 (0.52) NQO2KDM4EMEN1POLBMAPT

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 64/4885PABPC1 3000/4885KDM4E 1631/4885
US-20030203916-A1 1,8-NAPHTHALIMIDE IMIDAZO{4,5,1-DE}ACRIDONES WITH ANTI-TUMOR ACTIVITY MKI67, CDKN1A, CCNA1 NQO2 140/4885PABPC1 1161/4885KDM4E 2431/4885

“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.