SCHEMBL4173785

SCHEMBL4173785

COc1ccc(-c2nc3ccccc3n2CCCCCB2OC(C)(C)C(C)(C)O2)cc1F

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.56
GAA P10253 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
KDM4E B2RXH2 10/20 0.51
HSD17B10 Q99714 5/20 0.51
RECQL P46063 1/20 0.51
ALDH1A1 P00352 5/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
HPGD P15428 2/20 0.50
MAPK1 P28482 1/20 0.50
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.42
TSHR P16473 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
CSF1R P07333 1/20 0.39

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
SCHEMBL4187319 0.80 TP53 (0.61) TP53GAASMN1; SMN2KDM4EHSD17B10
SCHEMBL8266132 0.71 TP53 (0.74) TP53GAASMN1; SMN2KDM4EHSD17B10
SCHEMBL4330303 0.70 TP53 (0.36) TP53GAASMN1; SMN2KDM4EHSD17B10
SCHEMBL30424878 0.67 KDM4E (0.72) TP53GAASMN1; SMN2KDM4EHSD17B10
SCHEMBL15314760 0.67 KDM4E (0.76) TP53GAASMN1; SMN2KDM4EHSD17B10
SCHEMBL28819547 0.65 KDM4E (0.47) TP53GAASMN1; SMN2KDM4EHSD17B10
SCHEMBL484127 0.65 KDM4E (0.48) TP53GAASMN1; SMN2KDM4EHSD17B10
SCHEMBL4175499 0.63 KDM4E (0.67) TP53GAASMN1; SMN2KDM4EHSD17B10
SCHEMBL28862183 0.63 TP53 (0.62) TP53GAASMN1; SMN2KDM4EHSD17B10
SCHEMBL2245507 0.62 KDM4E (0.68) 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 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
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.