SCHEMBL564801

SCHEMBL564801

N#Cc1cc(Cl)c(Cl)nc1OCCOC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 8/20 0.37
PDE4B Q07343 8/20 0.37
CNR1 P21554 6/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RET P07949 1/20 0.34
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CNR2 P34972 2/20 0.32
KHK P50053 1/20 0.32

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
SCHEMBL565703 0.78 PDE4B (0.54) PDE4APDE4BCNR1KDM4EMAPT
SCHEMBL10235411 0.78 PDE4A (0.54) PDE4APDE4BCNR1KDM4EMAPT
SCHEMBL566172 0.73 CNR1 (0.39) CNR1
SCHEMBL566051 0.73 PDE4B (0.57) PDE4APDE4BCNR1KDM4EMAPT
SCHEMBL10186919 0.72 PDE4B (0.76) PDE4APDE4B
SCHEMBL565795 0.72 PDE4A (0.36) PDE4APDE4BCNR1CNR2
SCHEMBL33525760 0.71 L3MBTL1 (0.49) CNR1KDM4ETDP1GAAL3MBTL1
SCHEMBL565839 0.70 PDE4A (0.56) PDE4APDE4BCNR1KDM4EMAPT
SCHEMBL566218 0.70 PDE4B (0.46) PDE4APDE4BCNR1KDM4E
SCHEMBL3530588 0.69 KHK (0.43) CNR1KDM4EMAPTTDP1CNR2

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 PDE4A 1744/4885PDE4B 936/4885CNR1 1409/4885
US-20120035132-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 PDE4A 1744/4885PDE4B 936/4885CNR1 1409/4885
US-20150376210-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 PDE4A 1744/4885PDE4B 936/4885CNR1 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.