SCHEMBL565584

SCHEMBL565584

COCC(COc1nc(Cl)c(Cl)cc1C(N)=O)OC

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.40
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
SYK P43405 5/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
IRAK4 Q9NWZ3 8/20 0.33
LRRK2 Q5S007 1/20 0.33
NNMT P40261 1/20 0.33

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
SCHEMBL564704 0.77 CYP2C9 (0.46) CNR1PDE4APDE4BIRAK4NNMT
SCHEMBL566095 0.75 CNR1 (0.44) CNR1PDE4APDE4BMEN1KMT2A
SCHEMBL565839 0.74 PDE4A (0.56) CNR1PDE4APDE4BMEN1KMT2A
SCHEMBL10235414 0.72 CNR1 (0.39) CNR1PDE4APDE4BIRAK4
SCHEMBL566172 0.72 CNR1 (0.39) CNR1IRAK4NNMT
SCHEMBL566219 0.71 CNR1 (0.40) CNR1IRAK4NNMT
SCHEMBL7584370 0.70 XDH (0.41) TDP1
SCHEMBL566220 0.70 CNR1 (0.42) CNR1IRAK4NNMT
SCHEMBL566114 0.69 CASP1 (0.47) NNMT
SCHEMBL29406095 0.69 CASP1 (0.47) NNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9499570-B2 Boron containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2016-11-22 US disclosed
US-20150376210-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, LLC 2015-12-31 US disclosed
US-9145429-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2015-09-29 US disclosed
US-20140200198-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2014-07-17 US disclosed
US-8716478-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2014-05-06 US disclosed
US-20120035132-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-02-09 US disclosed
WO-2011094450-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC (US) 2011-08-04 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 (3 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-20140200198-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 CNR1 1409/4885PDE4A 1744/4885PDE4B 936/4885
US-20120035132-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 CNR1 1409/4885PDE4A 1744/4885PDE4B 936/4885
US-20150376210-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 CNR1 1409/4885PDE4A 1744/4885PDE4B 936/4885

“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.