SCHEMBL5487833

SCHEMBL5487833

N#Cc1ccc(-c2ccc(Br)o2)nc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.40
EGLN2 Q96KS0 1/20 0.40
KCNH2 Q12809 1/20 0.40
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 2/20 0.38
F2 P00734 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
SCD5 Q86SK9 1/20 0.34
KDM1A O60341 1/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL3503836 0.97 KDM4E (0.39) GRM5EGLN2KCNH2KDM4EALDH1A1
SCHEMBL5493470 0.88 EGLN2 (0.45) GRM5EGLN2KCNH2KDM4EALDH1A1
SCHEMBL13185348 0.86 KDM4E (0.44) GRM5EGLN2KCNH2KDM4EALDH1A1
SCHEMBL14046723 0.80 EGLN2 (0.40) GRM5EGLN2KCNH2KDM4EALDH1A1
SCHEMBL5487740 0.80 GRM5 (0.45) GRM5EGLN2KCNH2KDM4EALDH1A1
SCHEMBL3505152 0.79 GRM5 (0.41) GRM5EGLN2KCNH2KDM4EALDH1A1
SCHEMBL14046725 0.78 KDM4E (0.39) GRM5EGLN2KCNH2KDM4EALDH1A1
SCHEMBL995794 0.75 GRM5 (0.54) GRM5EGLN2KCNH2KDM4EALDH1A1
SCHEMBL31172969 0.75 GRM5 (0.54) GRM5EGLN2KCNH2KDM4EALDH1A1
6-(2,2'-Bifuran-5-Yl)Nicotinonitrile SCHEMBL3506917 0.75 MYC (0.42) GRM5EGLN2KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249175-A1 Dicationic compounds which selectively recognize G-quadruplex DNA GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2010-09-30 US disclosed
US-7517893-B2 Bichalcophenes and their prodrugs as antiprotozoal agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2009-04-14 US disclosed
US-7256203-B2 Dicationic 2,5-diarylfuran aza-analogs as anti-protozoan agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2007-08-14 US disclosed
US-7256203-B2 Dicationic 2,5-diarylfuran aza-analogs as anti-protozoan agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2007-08-14 US disclosed
EP-1792613-A2 Dicationic compounds which selectively recognize G-quadruplex DNA UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2007-06-06 EP disclosed
EP-1565458-A2 DICATIONIC 2,5-DIARYLFURAN AZA-ANALOGS AS ANTI-PROTOZOAN AGENTS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2005-08-24 EP disclosed
US-20040122015-A1 Dicationic 2,5-diarylfuran aza-analogs as anti-protozoan agents BOYKIN DAVID W (US) 2004-06-24 US disclosed
WO-2004050018-A2 DICATIONIC 2,5-DIARYLFURAN AZA-ANALOGS AS ANTI-PROTOZOAN AGENTS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2004-06-17 WO 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-20100249175-A1 Dicationic compounds which selectively recognize G-quadruplex DNA DDB1, DNA2, SSBP1 GRM5 1063/4885EGLN2 4687/4885KCNH2 2913/4885
US-20040122015-A1 Dicationic 2,5-diarylfuran aza-analogs as anti-protozoan agents NR0B1, NR2C2, DECR1 GRM5 1575/4885EGLN2 1489/4885KCNH2 1516/4885

“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.