SCHEMBL2014714

SCHEMBL2014714

N#Cc1ccc(-c2ccc(Br)cc2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
ALDH1A1 P00352 4/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
HPGD P15428 2/20 0.54
HTT P42858 2/20 0.54
KDM1A O60341 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
NFKB1 P19838 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
GRM5 P41594 3/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
CYP11B1 P15538 1/20 0.43
EGLN2 Q96KS0 1/20 0.43
KCNH2 Q12809 1/20 0.43
AHR P35869 2/20 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
SCHEMBL9021665 0.90 KDM4E (0.61) KDM4EALDH1A1L3MBTL1HPGDHTT
SCHEMBL9021314 0.89 KDM1A (0.53) KDM4EALDH1A1L3MBTL1HPGDHTT
SCHEMBL13986853 0.88 KDM4E (0.59) KDM4EALDH1A1L3MBTL1HPGDHTT
SCHEMBL9022425 0.86 KDM4E (0.58) KDM4EALDH1A1L3MBTL1HPGDHTT
SCHEMBL9024311 0.85 KDM4E (0.56) KDM4EALDH1A1L3MBTL1HPGDHTT
SCHEMBL27439055 0.84 KDM4E (0.49) KDM4EALDH1A1L3MBTL1HPGDHTT
SCHEMBL17116615 0.83 KDM4E (0.55) KDM4EALDH1A1L3MBTL1HPGDHTT
SCHEMBL7282296 0.81 KDM1A (0.56) KDM4EALDH1A1L3MBTL1HPGDHTT
SCHEMBL17116589 0.81 KDM4E (0.54) KDM4EALDH1A1L3MBTL1HPGDHTT
SCHEMBL12855304 0.81 ALDH1A1 (0.57) KDM4EALDH1A1L3MBTL1HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016046782-A1 IMIDAZOLE BIARYL COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2016-03-31 WO 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-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-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
US-7964619-B2 Teraryl components as antiparasitic agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2011-06-21 US disclosed
CN-101270081-A Linear dicationic terphenyls and aza analogs thereof as antiparasitic agents UNIV GEORGIA STATE (US) 2008-09-24 CN 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
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
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 2647/4885L3MBTL1 1581/4885
US-20110257199-A1 NOVEL TERARYL COMPOUNDS AS ANTIPARASITIC AGENTS DDT, ZC3HAV1, MAVS KDM4E 1141/4885ALDH1A1 1910/4885L3MBTL1 1748/4885

“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.