SCHEMBL4357250

SCHEMBL4357250

N=C(N)c1ccc(-c2ccc(-c3ccc(-c4ccc(C(=N)N)cc4)o3)o2)cc1

nearest known ligand 0.96

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 13/20 0.96
PRMT1 Q99873 2/20 0.96
ALDH1A1 P00352 1/20 0.96
TOP1 P11387 1/20 0.96
HPGD P15428 1/20 0.96
CASP1 P29466 1/20 0.96
CASP7 P55210 1/20 0.96
HSD17B10 Q99714 1/20 0.96
TDP1 Q9NUW8 1/20 0.96
TOP2A P11388 3/20 0.92
TOP2B Q02880 3/20 0.92
F2 P00734 1/20 0.56
PLAU P00749 1/20 0.56
ST14 Q9Y5Y6 1/20 0.56

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
Hydrochloric Acid SCHEMBL3506114 0.98 TOP2A (0.96) NQO2PRMT1ALDH1A1TOP1HPGD
Furamidine SCHEMBL549198 0.98 NQO2 (1.00) NQO2PRMT1ALDH1A1TOP1HPGD
Furamidine SCHEMBL7734063 0.96 TOP2A (1.00) NQO2PRMT1ALDH1A1TOP1HPGD
Furamidine SCHEMBL31175984 0.96 TOP2A (1.00) NQO2PRMT1ALDH1A1TOP1HPGD
SCHEMBL23566020 0.91 NQO2 (0.79) NQO2PRMT1ALDH1A1TOP1HPGD
SCHEMBL3505723 0.91 NQO2 (0.79) NQO2PRMT1ALDH1A1TOP1HPGD
SCHEMBL13573592 0.88 NQO2 (0.81) NQO2PRMT1ALDH1A1TOP1HPGD
SCHEMBL23566335 0.88 NQO2 (0.73) NQO2PRMT1ALDH1A1TOP1HPGD
SCHEMBL14599566 0.88 NQO2 (1.00) NQO2PRMT1ALDH1A1TOP1HPGD
SCHEMBL397579 0.84 NQO2 (0.75) NQO2PRMT1ALDH1A1TOP1HPGD

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517893-B2 Bichalcophenes and their prodrugs as antiprotozoal agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2009-04-14 US claimed
EP-1726589-B1 5,5'-bis-(4-amidinophenyl)-2,2'-bifuran derivatives and related compounds as antiprotozoal agent and prodrugs thereof UNIV NORTH CAROLINA (US) 2008-10-15 EP claimed
US-20060293540-A1 Novel bichalcophenes and their prodrugs as antiprotozoal agents TIDWELL RICHARD R 2006-12-28 US claimed
EP-1726589-A2 5,5'-bis-(4-amidinophenyl)-2,2'-bifuran derivatives and related compounds as antiprotozoal agent and prodrugs thereof UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2006-11-29 EP claimed
WO-2021127452-A1 COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS AND POTENTIATION OF ANTIBIOTICS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2021-06-24 WO disclosed
US-20100249175-A1 Dicationic compounds which selectively recognize G-quadruplex DNA GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2010-09-30 US disclosed
US-20100249175-A1 Dicationic compounds which selectively recognize G-quadruplex DNA GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2010-09-30 US disclosed
US-7517893-B2 Bichalcophenes and their prodrugs as antiprotozoal agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2009-04-14 US disclosed
US-7517893-B2 Bichalcophenes and their prodrugs as antiprotozoal agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2009-04-14 US disclosed
EP-1726589-B1 5,5'-bis-(4-amidinophenyl)-2,2'-bifuran derivatives and related compounds as antiprotozoal agent and prodrugs thereof UNIV NORTH CAROLINA (US) 2008-10-15 EP disclosed
EP-1726589-B1 5,5'-bis-(4-amidinophenyl)-2,2'-bifuran derivatives and related compounds as antiprotozoal agent and prodrugs thereof UNIV NORTH CAROLINA (US) 2008-10-15 EP disclosed
EP-1792613-A2 Dicationic compounds which selectively recognize G-quadruplex DNA UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2007-06-06 EP disclosed
EP-1726589-A3 5,5'-bis-(4-amidinophenyl)-2,2'-bifuran derivatives and related compounds as antiprotozoal agent and prodrugs thereof UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2006-12-13 EP disclosed
EP-1726589-A2 5,5'-bis-(4-amidinophenyl)-2,2'-bifuran derivatives and related compounds as antiprotozoal agent and prodrugs thereof UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2006-11-29 EP 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-20100249175-A1 Dicationic compounds which selectively recognize G-quadruplex DNA DDB1, DNA2, SSBP1 NQO2 1541/4885PRMT1 1689/4885ALDH1A1 4594/4885
US-20060293540-A1 Novel bichalcophenes and their prodrugs as antiprotozoal agents CASP7, DDT, BAD NQO2 1951/4885PRMT1 2216/4885ALDH1A1 2430/4885

“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.