SCHEMBL398449

SCHEMBL398449

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 10/20 0.48
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 2/20 0.46
TOP1 P11387 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
PRMT1 Q99873 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TOP2A P11388 3/20 0.45
TOP2B Q02880 3/20 0.45
PRSS1 P07477 2/20 0.39
TMPRSS15 P98073 2/20 0.39
PTPN1 P18031 1/20 0.38
PTPN11 Q06124 1/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37

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
Pafuramidine SCHEMBL5143735 0.90 NQO2 (0.57) NQO2ALDH1A1HPGDHSD17B10TOP1
SCHEMBL3504227 0.90 NQO2 (0.57) NQO2ALDH1A1HPGDHSD17B10TOP1
SCHEMBL3506133 0.83 NQO2 (0.47) NQO2ALDH1A1HPGDHSD17B10TOP1
SCHEMBL3508130 0.82 NQO2 (0.52) NQO2ALDH1A1HPGDHSD17B10TOP1
Pafuramidine SCHEMBL29711459 0.80 NQO2 (0.52) NQO2ALDH1A1HPGDHSD17B10TOP1
Maleic Acid SCHEMBL3508868 0.80 NQO2 (0.52) NQO2ALDH1A1HPGDHSD17B10TOP1
SCHEMBL394063 0.79 NQO2 (0.46) NQO2ALDH1A1HPGDHSD17B10TOP1
SCHEMBL3504817 0.78 NQO2 (0.49) NQO2ALDH1A1HPGDHSD17B10TOP1
SCHEMBL5489885 0.77 PRMT1 (0.59) NQO2ALDH1A1HPGDHSD17B10TOP1
SCHEMBL5493324 0.77 NQO2 (0.45) NQO2ALDH1A1HPGDHSD17B10TOP1

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 10 patents. 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-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-7964619-B2 Teraryl components as antiparasitic agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2011-06-21 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-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 (3 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-20070232621-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents TPMT, TYMS, DDT NQO2 2112/4885ALDH1A1 2647/4885HPGD 4029/4885
US-20110257199-A1 NOVEL TERARYL COMPOUNDS AS ANTIPARASITIC AGENTS DDT, ZC3HAV1, MAVS NQO2 2186/4885ALDH1A1 1910/4885HPGD 3434/4885
US-20060293328-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents TPMT, TYMS, DDT NQO2 2112/4885ALDH1A1 2647/4885HPGD 4029/4885

“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.