SCHEMBL5489119

SCHEMBL5489119

N=C(NO)c1ccc(-c2ccc(-c3ccc(C(=N)NO)cn3)o2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 10/20 0.44
PRMT1 Q99873 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TOP1 P11387 1/20 0.44
HPGD P15428 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TOP2A P11388 3/20 0.42
TOP2B Q02880 3/20 0.42
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36
RARG P13631 1/20 0.36
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL5494996 0.92 P4HTM (0.36) NQO2PRMT1ALDH1A1TOP1HPGD
SCHEMBL3506390 0.84 FAAH (0.33) PRMT1
SCHEMBL5482696 0.84 NQO2 (0.59) NQO2PRMT1ALDH1A1TOP1HPGD
SCHEMBL5493324 0.83 NQO2 (0.45) NQO2PRMT1ALDH1A1TOP1HPGD
SCHEMBL5492362 0.80 NQO2 (0.47) NQO2PRMT1ALDH1A1TOP1HPGD
SCHEMBL5489107 0.80 MMP13 (0.30)
SCHEMBL5491209 0.79 PRMT1 (0.61) NQO2PRMT1ALDH1A1TOP1HPGD
SCHEMBL398179 0.79 PRMT1 (0.41) NQO2PRMT1ALDH1A1TOP1HPGD
SCHEMBL30626402 0.79 NQO2 (0.69) NQO2PRMT1ALDH1A1TOP1HPGD
SCHEMBL5490613 0.79 NQO2 (0.69) NQO2PRMT1ALDH1A1TOP1HPGD

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 982/4885PRMT1 1323/4885ALDH1A1 1497/4885

“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.