SCHEMBL5491185

SCHEMBL5491185

CC(=O)ONC(=N)c1ccc(-c2ccc(-c3ccc(C(=N)NOC(C)=O)cc3C)o2)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
APP P05067 1/20 0.35
ESR1 P03372 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PPM1G O15355 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN7 P35236 1/20 0.33
PTPN5 P54829 1/20 0.33
PTPRO Q16827 1/20 0.33
PTPN22 Q9Y2R2 1/20 0.33
NQO2 P16083 4/20 0.32
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
APOBEC3A P31941 1/20 0.31
RAB9A P51151 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31

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
SCHEMBL5491204 0.89 APP (0.39) APPNQO2
SCHEMBL5489078 0.84 ESR1 (0.40) KDM4EALDH1A1GAAL3MBTL1APP
SCHEMBL5492362 0.83 NQO2 (0.47) ALDH1A1APPNQO2NPC1RAB9A
Acetic Acid SCHEMBL6477829 0.81 NQO2 (0.48) KDM4EALDH1A1GAAL3MBTL1APP
SCHEMBL5486571 0.79 PRSS1 (0.44) KDM4EALDH1A1GAAL3MBTL1APP
SCHEMBL14433317 0.78 MAPT (0.38) KDM4EALDH1A1GAAL3MBTL1APP
SCHEMBL5486540 0.76 HTT (0.34) APPNQO2
SCHEMBL14433319 0.75 ESR1 (0.40) KDM4EALDH1A1GAAL3MBTL1APP
SCHEMBL5485823 0.74 APP (0.39) ALDH1A1APPNQO2
SCHEMBL5492369 0.72

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 KDM4E 1555/4885ALDH1A1 1497/4885GAA 4130/4885

“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.