SCHEMBL8975445

SCHEMBL8975445

[C-]#[N+]c1ccc(-c2ccc(-c3cnc(C#N)nc3)cn2)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.35
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
VEGFA P15692 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
EGLN3 Q9H6Z9 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
CYP11B1 P15538 1/20 0.32

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
SCHEMBL8975531 0.89 EGLN2 (0.36) ALOX5APFEN1KDM4EALDH1A1HPGD
SCHEMBL8974215 0.86 KDM1A (0.48) KDM1AKDM4EALDH1A1HPGDHTT
SCHEMBL8975406 0.84 EGLN2 (0.37) KDM1AALOX5APKDM4EALDH1A1HPGD
SCHEMBL8975602 0.81 KDM4E (0.48) KDM1AKDM4EALDH1A1HPGDHTT
SCHEMBL9022171 0.80 KDM1A (0.51) KDM1AALOX5APFEN1KDM4EALDH1A1
SCHEMBL8975250 0.79 KDM4E (0.49) KDM1AKDM4EALDH1A1HPGDHTT
SCHEMBL8975630 0.79 EGLN2 (0.35) KDM1AALOX5APKDM4EALDH1A1HPGD
SCHEMBL8974056 0.76 KDM4E (0.49) KDM1AKDM4EALDH1A1HPGDHTT
SCHEMBL8974026 0.76 PGR (0.38) KDM1AKDM4EALDH1A1HPGDHTT
SCHEMBL8975286 0.76 KDM1A (0.43) KDM1AKDM4EALDH1A1HPGDHTT

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 4 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-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-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 KDM1A 811/4885ALOX5AP 1899/4885FEN1 1900/4885
US-20110257199-A1 NOVEL TERARYL COMPOUNDS AS ANTIPARASITIC AGENTS DDT, ZC3HAV1, MAVS KDM1A 1454/4885ALOX5AP 1679/4885FEN1 1492/4885

“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.