SCHEMBL8267158

SCHEMBL8267158

OB(O)CCCCCn1c(-c2ccc3c(c2)OCO3)nc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.50
SIRT1 Q96EB6 1/20 0.47
TP53 P04637 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 1/20 0.45
ALDH1A1 P00352 4/20 0.45
USP2 O75604 1/20 0.45
ALPG P10696 1/20 0.45
HPGD P15428 2/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 3/20 0.43
MAPK1 P28482 2/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.43
FLT3 P36888 1/20 0.42
GFER P55789 1/20 0.42

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
SCHEMBL7394420 0.87 SIRT2 (0.55) SIRT2SIRT1TP53SMN1; SMN2LMNA
SCHEMBL7391995 0.86 TP53 (0.64) SIRT2SIRT1TP53SMN1; SMN2LMNA
SCHEMBL7390863 0.86 TP53 (0.64) SIRT2SIRT1TP53SMN1; SMN2LMNA
SCHEMBL7397442 0.85 TP53 (0.65) SIRT2SIRT1TP53SMN1; SMN2LMNA
SCHEMBL7391936 0.84 SMN1; SMN2 (0.49) SIRT2SIRT1TP53SMN1; SMN2LMNA
SCHEMBL7385375 0.82 SIRT2 (0.52) SIRT2SIRT1TP53SMN1; SMN2LMNA
SCHEMBL7397513 0.82 HDAC1 (0.51) SIRT2SIRT1TP53SMN1; SMN2LMNA
SCHEMBL7389782 0.81 KDM4E (0.61) SIRT2SIRT1TP53SMN1; SMN2LMNA
SCHEMBL13668158 0.81 HPGD (0.56) TP53SMN1; SMN2LMNAGAAALDH1A1
SCHEMBL13668139 0.79 HPGD (0.57) TP53SMN1; SMN2LMNAGAAALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264384-A1 INDOLE, BENZIMIDAZOLE, AND BENZOLACTAM BORONIC ACID COMPOUNDS, ANALOGS THEREOF AND METHODS OF USE THEREOF NUADA, INC. (US) 2009-10-22 US disclosed
US-20090264384-A1 INDOLE, BENZIMIDAZOLE, AND BENZOLACTAM BORONIC ACID COMPOUNDS, ANALOGS THEREOF AND METHODS OF USE THEREOF NUADA, INC. (US) 2009-10-22 US disclosed
US-20090005344-A1 Compounds and Methods of Use Thereof NKUADA, LLC (US) 2009-01-01 US disclosed
US-20090005344-A1 Compounds and Methods of Use Thereof NKUADA, LLC (US) 2009-01-01 US disclosed
WO-2006050053-A2 COMPOUNDS AND METHODS OF USE THEREOF NUADA, LLC (US) 2006-05-11 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 (2 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-20090005344-A1 Compounds and Methods of Use Thereof TNF, IL1B, TNFRSF1A SIRT2 2513/4885SIRT1 1813/4885TP53 441/4885
US-20090264384-A1 INDOLE, BENZIMIDAZOLE, AND BENZOLACTAM BORONIC ACID COMPOUNDS, ANALOGS THEREOF AND METHODS OF USE THEREOF TNF, NFKBIA, IL6 SIRT2 1907/4885SIRT1 1231/4885TP53 327/4885

“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.