SCHEMBL5496944

SCHEMBL5496944

CONC(=N)c1ccc(-c2ccc(-c3ccc(C(=N)NOC)cn3)s2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.40
RXFP1 Q9HBX9 1/20 0.36
APP P05067 5/20 0.36
CSNK2A1 P68400 3/20 0.36
CSNK2A2 P19784 2/20 0.36
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
RARG P13631 1/20 0.34
HPGDS O60760 2/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
NPC1 O15118 1/20 0.33
GLA P06280 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL5487186 0.83 NQO2 (0.41) NQO2APPRARARARBRARG
SCHEMBL3786954 0.77 RXFP1 (0.35) RXFP1
SCHEMBL5493324 0.77 NQO2 (0.45) NQO2APPRARARARBRARG
SCHEMBL14433307 0.77 NQO2 (0.63) NQO2APPKDM4EALDH1A1GAA
SCHEMBL396796 0.75 TP53 (0.37) NQO2RXFP1KDM4EALDH1A1NPC1
SCHEMBL5485823 0.74 APP (0.39) NQO2RXFP1APPALDH1A1HPGD
SCHEMBL14433302 0.73 KLKB1 (0.39) NQO2RXFP1APPCSNK2A1CSNK2A2
SCHEMBL399316 0.72 NPC1 (0.47) HPGDSKDM4EALDH1A1NPC1MAPT
SCHEMBL14433311 0.71 NQO2 (0.41) NQO2APPCSNK2A1RARARARB
SCHEMBL20090626 0.71 HDAC1 (0.47) KDM4EMAPT

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-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-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 (1 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-20040122015-A1 Dicationic 2,5-diarylfuran aza-analogs as anti-protozoan agents NR0B1, NR2C2, DECR1 NQO2 982/4885RXFP1 1833/4885APP 4873/4885

“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.