SCHEMBL5487186

SCHEMBL5487186

N=C(NO)c1ccc(-c2ccc(-c3ccc(C(=N)NO)cn3)s2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.41
HDAC1 Q13547 12/20 0.38
HDAC6 Q9UBN7 4/20 0.36
HDAC3 O15379 3/20 0.36
HDAC4 P56524 3/20 0.36
HDAC7 Q8WUI4 3/20 0.36
HDAC2 Q92769 3/20 0.36
HDAC10 Q969S8 3/20 0.36
HDAC11 Q96DB2 3/20 0.36
HDAC8 Q9BY41 3/20 0.36
HDAC9 Q9UKV0 3/20 0.36
HDAC5 Q9UQL6 3/20 0.36
CYP3A4 P08684 1/20 0.35
ESR1 P03372 1/20 0.35
APP P05067 1/20 0.35
ESR2 Q92731 1/20 0.35
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
RARG P13631 1/20 0.34

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
SCHEMBL5496944 0.83 NQO2 (0.40) NQO2APPRARARARBRARG
SCHEMBL14433307 0.78 NQO2 (0.63) NQO2APP
SCHEMBL5489119 0.75 NQO2 (0.44) NQO2HDAC1HDAC6HDAC3HDAC2
SCHEMBL3783070 0.75 RXFP1 (0.32)
SCHEMBL312493 0.73 HDAC1 (0.61) HDAC1HDAC6
SCHEMBL14433311 0.73 NQO2 (0.41) NQO2ESR1APPESR2RARA
SCHEMBL22508437 0.72 NQO2 (0.46) NQO2HDAC1ESR1APPESR2
SCHEMBL3788282 0.72 NQO2 (0.49) NQO2
SCHEMBL5494996 0.71 P4HTM (0.36) NQO2HDAC1HDAC6APP
SCHEMBL398236 0.71 NPC1 (0.34) HDAC1HDAC6

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 982/4885HDAC1 238/4885HDAC6 503/4885

“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.