SCHEMBL566220

SCHEMBL566220

NC(=O)c1cc(Cl)c(Cl)nc1OCCCC1CC1O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.42
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
SCN9A Q15858 1/20 0.32
IRAK4 Q9NWZ3 6/20 0.31
CNR2 P34972 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.30
NNMT P40261 1/20 0.30

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
SCHEMBL566095 0.78 CNR1 (0.44) CNR1CYP2C19RAB9ANNMT
SCHEMBL10235414 0.77 CNR1 (0.39) CNR1CHRNB2CHRNA4SCN9AIRAK4
SCHEMBL566219 0.76 CNR1 (0.40) CNR1IRAK4CYP2C19RAB9ANNMT
SCHEMBL566172 0.74 CNR1 (0.39) CNR1SCN9AIRAK4CYP2C19RAB9A
SCHEMBL564704 0.74 CYP2C9 (0.46) CNR1IRAK4NNMT
SCHEMBL565584 0.70 CNR1 (0.40) CNR1IRAK4NNMT
SCHEMBL565689 0.69 CNR1 (0.36) CNR1
SCHEMBL566199 0.68 SCN9A (0.40) CNR1SCN9ACNR2RAB9A
SCHEMBL24755247 0.66 SLC9A1 (0.50) NNMT
SCHEMBL566114 0.66 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 4 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-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

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-20120035132-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 CNR1 1409/4885CHRNB2 1594/4885CHRNA4 4031/4885
US-20150376210-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 CNR1 1409/4885CHRNB2 1594/4885CHRNA4 4031/4885

“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.