SCHEMBL566130

SCHEMBL566130

CC(C)OCCOc1nc(Cl)c(C2CC2)cc1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.41
CYP2C9 P11712 1/20 0.41
SCN9A Q15858 4/20 0.39
GRM4 Q14833 2/20 0.38
IRAK4 Q9NWZ3 8/20 0.36
CNR1 P21554 2/20 0.36
PARP1 P09874 1/20 0.35

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 0.87 CYP2C9 (0.46) CYP2C9GRM4IRAK4CNR1
SCHEMBL566199 0.82 SCN9A (0.40) CNR2SCN9ACNR1PARP1
SCHEMBL565827 0.79 CYP2C9 (0.41) CNR2CYP2C9SCN9AGRM4IRAK4
SCHEMBL566092 0.76 PDE4B (0.46) CNR2CNR1
SCHEMBL566098 0.74 SCN9A (0.42) SCN9APARP1
SCHEMBL10235414 0.72 CNR1 (0.39) SCN9AIRAK4CNR1PARP1
SCHEMBL566095 0.68 CNR1 (0.44) CNR1PARP1
SCHEMBL566172 0.67 CNR1 (0.39) CYP2C9SCN9AIRAK4CNR1PARP1
SCHEMBL10237749 0.65 CYP2C9 (0.37) CNR2CYP2C9GRM4CNR1
SCHEMBL566220 0.65 CNR1 (0.42) CNR2SCN9AIRAK4CNR1

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 CNR2 1069/4885CYP2C9 3045/4885SCN9A 2319/4885
US-20120035132-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 CNR2 1069/4885CYP2C9 3045/4885SCN9A 2319/4885
US-20150376210-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 CNR2 1069/4885CYP2C9 3045/4885SCN9A 2319/4885

“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.