SCHEMBL5493892

SCHEMBL5493892

N=C(NO)c1ccc(-c2ccc(C=Cc3ccccc3)o2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.42
HDAC4 P56524 3/20 0.42
MEN1 O00255 3/20 0.33
LMNA P02545 3/20 0.33
HPGD P15428 3/20 0.33
KMT2A Q03164 3/20 0.33
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
P4HTM Q9NXG6 1/20 0.33
LDHA P00338 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PLG P00747 3/20 0.32

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
SCHEMBL5493889 1.00 HDAC1 (0.42) HDAC1HDAC4MEN1LMNAHPGD
SCHEMBL14433320 0.86 PLG (0.43) HDAC1HDAC4HPGDALDH1A1CYP2C19
SCHEMBL14433322 0.82 KDM1A (0.41) HDAC1HDAC4HPGDSMN1; SMN2
SCHEMBL5494996 0.81 P4HTM (0.36) HDAC1HPGDALDH1A1P4HTMLDHA
SCHEMBL5489119 0.75 NQO2 (0.44) HDAC1HPGDALDH1A1HSD17B10
SCHEMBL3506390 0.74 FAAH (0.33) P4HTM
SCHEMBL5491666 0.73 EGLN2 (0.36) HDAC1HDAC4MEN1LMNAHPGD
SCHEMBL5491668 0.73 EGLN2 (0.36) HDAC1HDAC4MEN1LMNAHPGD
SCHEMBL5489107 0.70 MMP13 (0.30)
SCHEMBL5489078 0.69 ESR1 (0.40) HDAC1MEN1KMT2AALDH1A1KDM4E

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 HDAC1 238/4885HDAC4 254/4885MEN1 3838/4885

“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.