SCHEMBL397363

SCHEMBL397363

N=C(N)c1ccc(-c2ccc(-c3ccc(C(=N)N)cc3)nn2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.56
NQO2 P16083 3/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
HSD17B10 Q99714 2/20 0.52
PRMT1 Q99873 2/20 0.52
TOP1 P11387 1/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
LMNA P02545 2/20 0.50
PLAU P00749 2/20 0.50
MASP2 O00187 1/20 0.50
THPO P40225 1/20 0.50
TOP2A P11388 1/20 0.50
TOP2B Q02880 1/20 0.50
F2 P00734 3/20 0.48
PRSS1 P07477 1/20 0.48
APEX1 P27695 1/20 0.48
PRSS3 P35030 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
SCHEMBL9254659 0.89 LMNA (0.47) WDR5NQO2ALDH1A1HPGDHSD17B10
SCHEMBL2013410 0.80 WDR5 (0.54) WDR5NQO2ALDH1A1HPGDHSD17B10
SCHEMBL8973288 0.80 WDR5 (0.80) WDR5NQO2ALDH1A1HPGDHSD17B10
SCHEMBL394218 0.80 WDR5 (0.80) WDR5NQO2ALDH1A1HPGDHSD17B10
SCHEMBL8975475 0.79 WDR5 (0.53) WDR5NQO2ALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL2008037 0.78 WDR5 (0.52) WDR5NQO2ALDH1A1HPGDHSD17B10
SCHEMBL8975609 0.78 RXFP1 (0.49) WDR5NQO2ALDH1A1HPGDHSD17B10
SCHEMBL537030 0.77 LMNA (0.77) WDR5NQO2ALDH1A1HPGDHSD17B10
SCHEMBL27439321 0.75 NQO2 (0.44) WDR5NQO2ALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL392375 0.74 PRSS1 (0.78) WDR5ALDH1A1HPGDHSD17B10PRMT1

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 WDR5 1295/4885NQO2 2112/4885ALDH1A1 2647/4885
US-20110257199-A1 NOVEL TERARYL COMPOUNDS AS ANTIPARASITIC AGENTS DDT, ZC3HAV1, MAVS WDR5 1227/4885NQO2 2186/4885ALDH1A1 1910/4885
US-20060293328-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents TPMT, TYMS, DDT WDR5 1295/4885NQO2 2112/4885ALDH1A1 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.