SCHEMBL397579

SCHEMBL397579

N=C(N)c1ccc(-c2ccc(-c3ccc(C(=N)N)o3)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 13/20 0.75
PRMT1 Q99873 2/20 0.75
ALDH1A1 P00352 1/20 0.75
TOP1 P11387 1/20 0.75
HPGD P15428 1/20 0.75
CASP1 P29466 1/20 0.75
CASP7 P55210 1/20 0.75
HSD17B10 Q99714 1/20 0.75
TDP1 Q9NUW8 1/20 0.75
TOP2A P11388 1/20 0.72
TOP2B Q02880 1/20 0.72
WDR5 P61964 1/20 0.52
PRSS1 P07477 1/20 0.49
TMPRSS15 P98073 1/20 0.49

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 SCHEMBL11603402 0.95 TOP2A (0.76) NQO2PRMT1ALDH1A1TOP1HPGD
SCHEMBL23566020 0.95 NQO2 (0.79) NQO2PRMT1ALDH1A1TOP1HPGD
SCHEMBL3505723 0.95 NQO2 (0.79) NQO2PRMT1ALDH1A1TOP1HPGD
Acetic Acid SCHEMBL397891 0.91 NQO2 (0.79) NQO2PRMT1ALDH1A1TOP1HPGD
SCHEMBL395347 0.90 NQO2 (0.63) NQO2PRMT1ALDH1A1TOP1HPGD
Furamidine SCHEMBL549198 0.86 NQO2 (1.00) NQO2PRMT1ALDH1A1TOP1HPGD
Acetic Acid SCHEMBL3506391 0.86 NQO2 (0.82) NQO2PRMT1ALDH1A1TOP1HPGD
SCHEMBL23566320 0.86 NQO2 (0.65) NQO2PRMT1ALDH1A1TOP1HPGD
Furamidine SCHEMBL7734063 0.84 TOP2A (1.00) NQO2PRMT1ALDH1A1TOP1HPGD
SCHEMBL4357250 0.84 NQO2 (0.96) 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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060293328-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents TIDWELL RICHARD R 2006-12-28 US claimed
EP-1736466-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents The University of North Carolina at Chapel Hill (US) 2006-12-27 EP claimed
US-8188121-B2 Substituted pyridines as antiparasitic AZA teraryl compounds THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-05-29 US disclosed
US-8188121-B2 Substituted pyridines as antiparasitic AZA teraryl compounds THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-05-29 US disclosed
US-8188121-B2 Substituted pyridines as antiparasitic AZA teraryl compounds THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-05-29 US disclosed
US-8101636-B2 Linear dicationic terphenyls and their aza analogues as antiparasitic agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-01-24 US disclosed
US-8101636-B2 Linear dicationic terphenyls and their aza analogues as antiparasitic agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-01-24 US disclosed
US-8101636-B2 Linear dicationic terphenyls and their aza analogues as antiparasitic agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-01-24 US disclosed
US-20110257199-A1 NOVEL TERARYL COMPOUNDS AS ANTIPARASITIC AGENTS TIDWELL RICHARD R 2011-10-20 US disclosed
US-20110257199-A1 NOVEL TERARYL COMPOUNDS AS ANTIPARASITIC AGENTS TIDWELL RICHARD R 2011-10-20 US disclosed
US-20110257199-A1 NOVEL TERARYL COMPOUNDS AS ANTIPARASITIC AGENTS TIDWELL RICHARD R 2011-10-20 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-20100249175-A1 Dicationic compounds which selectively recognize G-quadruplex DNA GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2010-09-30 US disclosed
EP-1949896-A2 Linear dicationic terphenyls and their aza analogues as antiparasitic agents The University of North Carolina At Chapel Hill (US) 2008-07-30 EP disclosed
US-20070232621-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2007-10-04 US disclosed
US-20070232621-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2007-10-04 US disclosed
US-20070232621-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2007-10-04 US 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-20060293328-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents TIDWELL RICHARD R 2006-12-28 US disclosed
EP-1736466-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents The University of North Carolina at Chapel Hill (US) 2006-12-27 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 (4 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-20070232621-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents TPMT, TYMS, DDT NQO2 2112/4885PRMT1 2351/4885ALDH1A1 2647/4885
US-20110257199-A1 NOVEL TERARYL COMPOUNDS AS ANTIPARASITIC AGENTS DDT, ZC3HAV1, MAVS NQO2 2186/4885PRMT1 2522/4885ALDH1A1 1910/4885
US-20060293328-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents TPMT, TYMS, DDT NQO2 2112/4885PRMT1 2351/4885ALDH1A1 2647/4885

“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.