SCHEMBL566219

SCHEMBL566219

NC(=O)c1cc(Cl)c(Cl)nc1OCCCC1(O)CC1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.40
NNMT P40261 1/20 0.33
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31

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
SCHEMBL565689 0.79 CNR1 (0.36) CNR1
SCHEMBL566095 0.79 CNR1 (0.44) CNR1NNMTCYP2C19RAB9A
SCHEMBL566220 0.76 CNR1 (0.42) CNR1NNMTCYP2C19RAB9AIRAK4
SCHEMBL10235414 0.75 CNR1 (0.39) CNR1RAB9AIRAK4
SCHEMBL564704 0.75 CYP2C9 (0.46) CNR1NNMTIRAK4
SCHEMBL566172 0.75 CNR1 (0.39) CNR1NNMTCYP2C19RAB9AIRAK4
SCHEMBL565584 0.71 CNR1 (0.40) CNR1NNMTIRAK4
SCHEMBL566114 0.67 CASP1 (0.47) NNMT
SCHEMBL29406095 0.67 CASP1 (0.47) NNMT
SCHEMBL566199 0.67 SCN9A (0.40) CNR1RAB9A

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 1409/4885NNMT 975/4885CYP2C19 3522/4885
US-20120035132-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 CNR1 1409/4885NNMT 975/4885CYP2C19 3522/4885
US-20150376210-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 CNR1 1409/4885NNMT 975/4885CYP2C19 3522/4885

“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.