SCHEMBL8975475

SCHEMBL8975475

N=C(N)c1ccc(-c2ccc(-c3ccc(C(=N)N)cn3)cc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.53
RXFP1 Q9HBX9 2/20 0.46
NPC1 O15118 1/20 0.46
LDHA P00338 1/20 0.46
PRMT1 Q99873 2/20 0.46
NQO2 P16083 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TOP1 P11387 1/20 0.46
HPGD P15428 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
UBE2T Q9NPD8 1/20 0.45
TOP2A P11388 1/20 0.44
TOP2B Q02880 1/20 0.44
LMNA P02545 1/20 0.43
MASP2 O00187 1/20 0.43
PLAU P00749 1/20 0.43
THPO P40225 1/20 0.43

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
SCHEMBL8975609 0.94 RXFP1 (0.49) WDR5RXFP1NPC1LDHAPRMT1
SCHEMBL14369783 0.90 WDR5 (0.47) WDR5RXFP1NPC1LDHAPRMT1
SCHEMBL20428452 0.87 KDM1A (0.46) WDR5RXFP1NPC1LDHANQO2
SCHEMBL2013410 0.86 WDR5 (0.54) WDR5PRMT1NQO2ALDH1A1TOP1
SCHEMBL28344110 0.86 P4HA1 (0.52) WDR5PRMT1ALDH1A1HPGDHSD17B10
SCHEMBL8975727 0.84 RXFP1 (0.44) WDR5RXFP1NPC1LDHAPRMT1
Hydrochloric Acid SCHEMBL2008037 0.84 WDR5 (0.52) WDR5PRMT1NQO2ALDH1A1TOP1
SCHEMBL27439321 0.84 NQO2 (0.44) WDR5RXFP1NPC1PRMT1NQO2
SCHEMBL8975458 0.82 PRMT1 (0.44) WDR5RXFP1NPC1LDHAPRMT1
SCHEMBL8975569 0.82 PRMT1 (0.63) WDR5RXFP1NPC1LDHAPRMT1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-7964619-B2 Teraryl components as antiparasitic agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2011-06-21 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-20070232621-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2007-10-04 US 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-20070232621-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents TPMT, TYMS, DDT WDR5 1295/4885RXFP1 4630/4885NPC1 1749/4885
US-20110257199-A1 NOVEL TERARYL COMPOUNDS AS ANTIPARASITIC AGENTS DDT, ZC3HAV1, MAVS WDR5 1227/4885RXFP1 4635/4885NPC1 688/4885

“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.