SCHEMBL9022425

SCHEMBL9022425

N#Cc1ccc(-c2ccc(-c3ccc(C#N)cn3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 2/20 0.58
HPGD P15428 2/20 0.58
HTT P42858 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
KDM1A O60341 1/20 0.57
CYP11B1 P15538 1/20 0.50
GABRA1 P14867 1/20 0.49
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49
GABRA5 P31644 1/20 0.49
GABRA3 P34903 1/20 0.49
CYP11B2 P19099 1/20 0.48
MMP3 P08254 1/20 0.48
GRM5 P41594 2/20 0.47
EGLN2 Q96KS0 1/20 0.46
GAA P10253 1/20 0.44
KIF11 P52732 2/20 0.44
MAP4K4 O95819 1/20 0.44
RIPK1 Q13546 1/20 0.44

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
SCHEMBL13986853 0.98 KDM4E (0.59) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL9021665 0.96 KDM4E (0.61) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL9024311 0.94 KDM4E (0.56) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL17116615 0.92 KDM4E (0.55) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL9021143 0.89 KDM1A (0.58) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL17116589 0.86 KDM4E (0.54) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL10393903 0.86 GRM5 (0.55) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL7282296 0.86 KDM1A (0.56) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL12855304 0.86 ALDH1A1 (0.57) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL2014714 0.86 KDM4E (0.54) 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 5 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
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

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 KDM4E 719/4885ALDH1A1 2647/4885HPGD 4029/4885
US-20110257199-A1 NOVEL TERARYL COMPOUNDS AS ANTIPARASITIC AGENTS DDT, ZC3HAV1, MAVS KDM4E 1141/4885ALDH1A1 1910/4885HPGD 3434/4885

“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.