SCHEMBL394063

SCHEMBL394063

N=C(NO)c1ccc(-c2ccc(-c3ccc(C(=N)NO)o3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 6/20 0.46
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 0.44
TOP2B Q02880 3/20 0.44
PTPN1 P18031 3/20 0.41
PTPN11 Q06124 1/20 0.41
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
PRNP P04156 1/20 0.40
MAPT P10636 2/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL3504817 0.95 NQO2 (0.49) NQO2ALDH1A1HPGDHSD17B10TOP1
SCHEMBL399205 0.91 ALDH1A1 (0.46) NQO2ALDH1A1HPGDHSD17B10TOP1
SCHEMBL5482696 0.87 NQO2 (0.59) NQO2ALDH1A1HPGDHSD17B10TOP1
SCHEMBL7320772 0.83 ALDH1A1 (0.53) ALDH1A1HPGDHSD17B10PTPN1KDM4E
SCHEMBL398179 0.82 PRMT1 (0.41) NQO2ALDH1A1HPGDHSD17B10TOP1
SCHEMBL7352212 0.82 ALDH1A1 (0.53) NQO2ALDH1A1HPGDPTPN1PTPN11
SCHEMBL3508193 0.81 NQO2 (0.47) NQO2ALDH1A1HPGDHSD17B10TOP1
SCHEMBL4951247 0.79 NQO2 (0.47) NQO2ALDH1A1HPGDHSD17B10TOP1
SCHEMBL398449 0.79 NQO2 (0.48) NQO2ALDH1A1HPGDHSD17B10TOP1
SCHEMBL13167095 0.74 NQO2 (0.62) 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.