SCHEMBL4175599

SCHEMBL4175599

CCOC(=O)CCCCn1c(-c2ccc(OC)cc2)nc2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.66
ALDH1A1 P00352 8/20 0.66
LMNA P02545 3/20 0.66
NPSR1 Q6W5P4 2/20 0.66
TSHR P16473 2/20 0.66
GAA P10253 2/20 0.66
HSD17B10 Q99714 2/20 0.64
SMN1; SMN2 Q16637 6/20 0.61
TP53 P04637 5/20 0.58
MAPT P10636 4/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
HTT P42858 5/20 0.57
CNR2 P34972 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
HPGD P15428 3/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
HIF1A Q16665 1/20 0.56
DRD2 P14416 2/20 0.54

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
SCHEMBL4180937 0.99 KDM4E (0.65) KDM4EALDH1A1LMNANPSR1TSHR
SCHEMBL8268109 0.89 PTGDR2 (0.53) KDM4EALDH1A1LMNANPSR1TSHR
SCHEMBL8268110 0.88 FAAH (0.54) KDM4EALDH1A1LMNANPSR1TSHR
SCHEMBL8226291 0.87 ALDH1A1 (0.65) KDM4EALDH1A1LMNANPSR1TSHR
SCHEMBL5317943 0.87 ALDH1A1 (0.65) KDM4EALDH1A1LMNANPSR1TSHR
SCHEMBL22965154 0.87 KDM4E (0.62) KDM4EALDH1A1GAAHSD17B10TP53
SCHEMBL4180499 0.85 ALDH1A1 (0.63) KDM4EALDH1A1LMNANPSR1TSHR
SCHEMBL4189059 0.84 ALDH1A1 (0.61) KDM4EALDH1A1LMNANPSR1TSHR
SCHEMBL31074139 0.83 KDM4E (0.53) KDM4EALDH1A1LMNANPSR1TSHR
SCHEMBL8104149 0.82 FAAH (0.70) GAAMEN1KMT2A

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 9 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-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
US-20090005344-A1 Compounds and Methods of Use Thereof NKUADA, LLC (US) 2009-01-01 US disclosed
WO-2007134169-A9 INDOLE, BENZIMIDAZOLE, AND BENZOLACTAM BORONIC ACID COMPOUNDS, ANALOGS THEREOF AND METHODS OF USE THEREOF NUADA LLC (US) 2008-07-24 WO disclosed
EP-1812451-A2 COMPOUNDS AND METHODS OF USE THEREOF Nuada, LLC (US) 2007-08-01 EP 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 KDM4E 3858/4885ALDH1A1 830/4885LMNA 1421/4885
US-20090264384-A1 INDOLE, BENZIMIDAZOLE, AND BENZOLACTAM BORONIC ACID COMPOUNDS, ANALOGS THEREOF AND METHODS OF USE THEREOF TNF, NFKBIA, IL6 KDM4E 2408/4885ALDH1A1 531/4885LMNA 1527/4885

“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.