SCHEMBL8975609

SCHEMBL8975609

N=C(N)c1ccc(-c2ccc(-c3ccc(C(=N)N)cn3)cn2)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.49
NPC1 O15118 1/20 0.49
LDHA P00338 1/20 0.49
PRMT1 Q99873 2/20 0.47
WDR5 P61964 1/20 0.47
HPGDS O60760 1/20 0.46
ALDH1A1 P00352 1/20 0.44
TOP1 P11387 1/20 0.44
HPGD P15428 1/20 0.44
NQO2 P16083 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
UBE2T Q9NPD8 1/20 0.44
TOP2A P11388 1/20 0.43
TOP2B Q02880 1/20 0.43
BAZ2B Q9UIF8 1/20 0.42
P4HA1 P13674 1/20 0.42
P4HTM Q9NXG6 1/20 0.42

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
SCHEMBL8975475 0.94 WDR5 (0.53) RXFP1NPC1LDHAPRMT1WDR5
SCHEMBL8975727 0.90 RXFP1 (0.44) RXFP1NPC1LDHAPRMT1WDR5
SCHEMBL27439089 0.88 HPGDS (0.43) RXFP1NPC1LDHAPRMT1WDR5
SCHEMBL20428452 0.86 KDM1A (0.46) RXFP1NPC1LDHAWDR5NQO2
SCHEMBL8975490 0.85 PRMT1 (0.52) RXFP1NPC1LDHAPRMT1WDR5
SCHEMBL14369783 0.84 WDR5 (0.47) RXFP1NPC1LDHAPRMT1WDR5
SCHEMBL8975569 0.84 PRMT1 (0.63) RXFP1NPC1LDHAPRMT1WDR5
SCHEMBL8975458 0.84 PRMT1 (0.44) RXFP1NPC1LDHAPRMT1WDR5
SCHEMBL2013410 0.84 WDR5 (0.54) PRMT1WDR5ALDH1A1TOP1HPGD
SCHEMBL28344110 0.84 P4HA1 (0.52) PRMT1WDR5ALDH1A1HPGDHSD17B10

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 RXFP1 4630/4885NPC1 1749/4885LDHA 2562/4885
US-20110257199-A1 NOVEL TERARYL COMPOUNDS AS ANTIPARASITIC AGENTS DDT, ZC3HAV1, MAVS RXFP1 4635/4885NPC1 688/4885LDHA 2913/4885

“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.