SCHEMBL4334807

SCHEMBL4334807

N#Cc1ccc2c(ccn2CCCCCB(O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.52
PLG P00747 1/20 0.44
PLAU P00749 1/20 0.44
CDK4 P11802 3/20 0.42
CCND1 P24385 3/20 0.42
CYP19A1 P11511 2/20 0.42
PRMT5 O14744 1/20 0.42
FFAR4 Q5NUL3 1/20 0.36
CDC7 O00311 1/20 0.36
RORC P51449 1/20 0.36
NPY5R Q15761 1/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
TSHR P16473 3/20 0.35
HSD17B10 Q99714 3/20 0.35
HPGD P15428 2/20 0.35
GLA P06280 1/20 0.35
HTT P42858 1/20 0.35
ENPP3 O14638 1/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL17242289 0.83 P2RX7 (0.56) P2RX7PLGPLAUCDK4CCND1
SCHEMBL16824128 0.82 P2RX7 (0.55) P2RX7PLGPLAUCDK4CCND1
SCHEMBL17242442 0.82 P2RX7 (0.54) P2RX7PLGPLAUCDK4CCND1
SCHEMBL5842922 0.81 P2RX7 (0.56) P2RX7PLGPLAUCDK4CCND1
SCHEMBL15577123 0.81 P2RX7 (0.56) P2RX7PLGPLAUCDK4CCND1
SCHEMBL5487411 0.81 P2RX7 (0.54) P2RX7PLGPLAUCDK4CCND1
SCHEMBL8266288 0.80 PLAU (0.50) PLGPLAUCDK4CCND1HSD17B10
SCHEMBL13668165 0.78 P2RX7 (0.50) P2RX7PLGPLAUCDK4CCND1
SCHEMBL4327022 0.78 HDAC1 (0.53) P2RX7RORCNPY5RKDM4EALDH1A1
SCHEMBL413159 0.77 FFAR4 (0.55) P2RX7PLGPLAUCYP19A1PRMT5

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 14 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-20080319044-A1 Compounds and Methods of Use Thereof NUADA, LLC (US) 2008-12-25 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
WO-2007134169-A2 INDOLE, BENZIMIDAZOLE, AND BENZOLACTAM BORONIC ACID COMPOUNDS, ANALOGS THEREOF AND METHODS OF USE THEREOF NUADA, LLC (US) 2007-11-22 WO claimed
WO-2006050236-A2 COMPOUNDS AND METHODS OF USE THEREOF NUADA, LLC (US) 2006-05-11 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-20080319044-A1 Compounds and Methods of Use Thereof NUADA, LLC (US) 2008-12-25 US disclosed
US-20080319044-A1 Compounds and Methods of Use Thereof NUADA, LLC (US) 2008-12-25 US disclosed
US-20080319044-A1 Compounds and Methods of Use Thereof NUADA, LLC (US) 2008-12-25 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
WO-2007134169-A2 INDOLE, BENZIMIDAZOLE, AND BENZOLACTAM BORONIC ACID COMPOUNDS, ANALOGS THEREOF AND METHODS OF USE THEREOF NUADA, LLC (US) 2007-11-22 WO disclosed
WO-2006050236-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-20090264384-A1 INDOLE, BENZIMIDAZOLE, AND BENZOLACTAM BORONIC ACID COMPOUNDS, ANALOGS THEREOF AND METHODS OF USE THEREOF TNF, NFKBIA, IL6 P2RX7 1824/4885PLG 2030/4885PLAU 3958/4885
US-20080319044-A1 Compounds and Methods of Use Thereof TNF, LITAF, LTA P2RX7 1268/4885PLG 1761/4885PLAU 1940/4885

“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.