SCHEMBL8975406

SCHEMBL8975406

[C-]#[N+]c1ccc(-c2ccc(-c3ccc(C#N)nc3)cn2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALOX5AP P20292 1/20 0.35
CHEK1 O14757 2/20 0.35
KDM1A O60341 1/20 0.35
DGAT1 O75907 1/20 0.34
PDE10A Q9Y233 1/20 0.33
VEGFA P15692 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
EGLN3 Q9H6Z9 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
TNF P01375 1/20 0.32
TRPA1 O75762 1/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 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
SCHEMBL8975515 0.90 CHEK1 (0.42) EGLN2CHEK1DGAT1PDE10AVEGFA
SCHEMBL8975630 0.88 EGLN2 (0.35) EGLN2KDM4EALDH1A1HPGDHTT
SCHEMBL8974215 0.86 KDM1A (0.48) EGLN2KDM4EALDH1A1HPGDHTT
SCHEMBL8975445 0.84 KDM1A (0.35) EGLN2KDM4EALDH1A1HPGDHTT
SCHEMBL8975602 0.81 KDM4E (0.48) EGLN2KDM4EALDH1A1HPGDHTT
SCHEMBL9022114 0.80 KDM1A (0.51) EGLN2KDM4EALDH1A1HPGDHTT
SCHEMBL8975250 0.79 KDM4E (0.49) EGLN2KDM4EALDH1A1HPGDHTT
SCHEMBL8974056 0.76 KDM4E (0.49) EGLN2KDM4EALDH1A1HPGDHTT
SCHEMBL8974026 0.76 PGR (0.38) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL8975286 0.76 KDM1A (0.43) KDM4EALDH1A1HPGDHTTL3MBTL1

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 EGLN2 4693/4885KDM4E 719/4885ALDH1A1 2647/4885
US-20110257199-A1 NOVEL TERARYL COMPOUNDS AS ANTIPARASITIC AGENTS DDT, ZC3HAV1, MAVS EGLN2 4620/4885KDM4E 1141/4885ALDH1A1 1910/4885

“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.