SCHEMBL3505979

SCHEMBL3505979

N=C(N)c1ccc(-c2ccc(-c3ccc(-c4ccc(C(=N)N)cc4)s3)s2)cc1

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 4/20 0.81
▸ WDR5 P61964 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.50
▸ TOP1 P11387 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ CASP1 P29466 1/20 0.50
▸ CASP7 P55210 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ PRMT1 Q99873 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ TOP2A P11388 1/20 0.48
▸ TOP2B Q02880 1/20 0.48
▸ F10 P00742 1/20 0.48
▸ LOXL2 Q9Y4K0 1/20 0.48
▸ APP P05067 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ MASP2 O00187 1/20 0.48
▸ PLAU P00749 1/20 0.48
▸ THPO P40225 1/20 0.48
▸ ESR1 P03372 1/20 0.48

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
SCHEMBL5307850 0.98 NQO2 (0.85) NQO2WDR5ALDH1A1TOP1HPGD
SCHEMBL23566334 0.92 NQO2 (0.71) NQO2WDR5ALDH1A1TOP1HPGD
SCHEMBL14433307 0.82 NQO2 (0.63) NQO2WDR5ALDH1A1TOP1HPGD
SCHEMBL23566323 0.82 NQO2 (0.58) NQO2ALDH1A1TOP1HPGDCASP1
SCHEMBL23566322 0.80 NQO2 (0.59) NQO2ALDH1A1TOP1HPGDCASP1
SCHEMBL394218 0.78 WDR5 (0.80) NQO2WDR5ALDH1A1TOP1HPGD
SCHEMBL8973288 0.78 WDR5 (0.80) NQO2WDR5ALDH1A1TOP1HPGD
SCHEMBL8096354 0.78 NQO2 (0.68) NQO2LOXL2F2PRSS1PRSS3
SCHEMBL9254195 0.78 NQO2 (0.61) NQO2F10LOXL2F2PRSS1
SCHEMBL537030 0.75 LMNA (0.77) NQO2WDR5ALDH1A1TOP1HPGD

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 13 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-1792613-A2 Dicationic compounds which selectively recognize G-quadruplex DNA UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2007-06-06 — — EP disclosed
US-20060293540-A1 Novel bichalcophenes and their prodrugs as antiprotozoal agents TIDWELL RICHARD R 2006-12-28 — — US 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 1541/4885WDR5 1792/4885ALDH1A1 4594/4885
US-20060293540-A1 Novel bichalcophenes and their prodrugs as antiprotozoal agents CASP7, DDT, BAD NQO2 1951/4885WDR5 3551/4885ALDH1A1 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.

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