SCHEMBL4187319

SCHEMBL4187319

COc1ccc(-c2nc3ccccc3n2CCCCCB(O)O)cc1F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.61
GAA P10253 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
KDM4E B2RXH2 9/20 0.55
HSD17B10 Q99714 3/20 0.55
RECQL P46063 1/20 0.55
ALDH1A1 P00352 6/20 0.53
MAPT P10636 3/20 0.53
HPGD P15428 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
MAPK1 P28482 1/20 0.52
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
DRD2 P14416 2/20 0.44
DRD3 P35462 2/20 0.44
CSF1R P07333 1/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL8266132 0.91 TP53 (0.74) TP53GAASMN1; SMN2KDM4EHSD17B10
SCHEMBL4175499 0.83 KDM4E (0.67) TP53GAASMN1; SMN2KDM4EHSD17B10
SCHEMBL13668127 0.82 KDM4E (0.68) TP53GAASMN1; SMN2KDM4EHSD17B10
SCHEMBL13668125 0.82 DRD2 (0.48) TP53GAASMN1; SMN2KDM4EHSD17B10
SCHEMBL4173785 0.80 TP53 (0.56) TP53GAASMN1; SMN2KDM4EHSD17B10
SCHEMBL13668158 0.79 HPGD (0.56) TP53GAASMN1; SMN2KDM4EHSD17B10
SCHEMBL13668139 0.78 HPGD (0.57) TP53GAASMN1; SMN2KDM4EHSD17B10
SCHEMBL8268629 0.76 DRD2 (0.51) TP53GAASMN1; SMN2KDM4EHSD17B10
SCHEMBL13668124 0.76 MEN1 (0.51) TP53GAASMN1; SMN2KDM4EHSD17B10
SCHEMBL8267158 0.76 SIRT2 (0.50) TP53GAASMN1; SMN2KDM4EHSD17B10

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 12 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 claimed
US-20090005344-A1 Compounds and Methods of Use Thereof NKUADA, LLC (US) 2009-01-01 US claimed
WO-2007134169-A9 INDOLE, BENZIMIDAZOLE, AND BENZOLACTAM BORONIC ACID COMPOUNDS, ANALOGS THEREOF AND METHODS OF USE THEREOF NUADA LLC (US) 2008-07-24 WO claimed
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
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
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 TP53 441/4885GAA 178/4885SMN1; SMN2 3901/4885
US-20090264384-A1 INDOLE, BENZIMIDAZOLE, AND BENZOLACTAM BORONIC ACID COMPOUNDS, ANALOGS THEREOF AND METHODS OF USE THEREOF TNF, NFKBIA, IL6 TP53 327/4885GAA 925/4885SMN1; SMN2 4212/4885

“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.