SCHEMBL564704

SCHEMBL564704

CC(C)OCCOc1nc(Cl)c(Cl)cc1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.46
GRM4 Q14833 2/20 0.41
CNR1 P21554 2/20 0.41
HPGD P15428 2/20 0.36
HTT P42858 1/20 0.35
PDE4A P27815 3/20 0.35
PDE4B Q07343 3/20 0.35
IRAK4 Q9NWZ3 8/20 0.35
NNMT P40261 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
SCHEMBL566130 0.87 CNR2 (0.41) CYP2C9GRM4CNR1IRAK4
SCHEMBL565827 0.84 CYP2C9 (0.41) CYP2C9GRM4CNR1PDE4APDE4B
SCHEMBL566095 0.80 CNR1 (0.44) CNR1PDE4APDE4BNNMT
SCHEMBL10235414 0.79 CNR1 (0.39) CNR1HPGDPDE4APDE4BIRAK4
SCHEMBL566172 0.79 CNR1 (0.39) CYP2C9CNR1IRAK4NNMT
SCHEMBL565584 0.77 CNR1 (0.40) CNR1PDE4APDE4BIRAK4NNMT
SCHEMBL566219 0.75 CNR1 (0.40) CNR1IRAK4NNMT
SCHEMBL566220 0.74 CNR1 (0.42) CNR1IRAK4NNMT
SCHEMBL10186952 0.73 HPGD (0.37) CYP2C9GRM4HPGDPDE4APDE4B
SCHEMBL565703 0.73 PDE4B (0.54) CNR1HPGDPDE4APDE4B

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 CYP2C9 3045/4885GRM4 4506/4885CNR1 1409/4885
US-20120035132-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 CYP2C9 3045/4885GRM4 4506/4885CNR1 1409/4885
US-20150376210-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 CYP2C9 3045/4885GRM4 4506/4885CNR1 1409/4885

“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.