SCHEMBL11993080

SCHEMBL11993080

COc1ccc(Oc2ccc(Br)c(CO)c2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 1/20 0.43
BRCA1 P38398 1/20 0.43
HBB P68871 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HAO1 Q9UJM8 2/20 0.39
CBFB Q13951 1/20 0.38
THRB P10828 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
POLB P06746 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HDAC1 Q13547 1/20 0.35
GAA P10253 1/20 0.35
HTR1A P08908 1/20 0.33
SLC6A4 P31645 1/20 0.33
F2 P00734 1/20 0.33

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
SCHEMBL2527088 0.81 ALDH1A1 (0.55) KDM4EALDH1A1HAO1THRBPOLB
SCHEMBL7857293 0.81 LTA4H (0.46) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL596358 0.80 PDE4B (0.49) KDM4EALDH1A1THRBCYP11B1CYP11B2
SCHEMBL594784 0.80 KDM4E (0.46) KDM4EALDH1A1HSD17B10CYP11B1CYP11B2
SCHEMBL7392254 0.77 KDM4E (0.44) KDM4EALDH1A1HSD17B10CYP11B1CYP11B2
Lithium Ion SCHEMBL7392252 0.76 KDM4E (0.43) KDM4EALDH1A1HSD17B10CYP11B1CYP11B2
SCHEMBL16838784 0.74 HAO1 (0.47) KDM4EALDH1A1MEN1BRCA1HBB
SCHEMBL7867961 0.74 CA2 (0.47) ALDH1A1HSD17B10THRBGAAHTR1A
SCHEMBL29279703 0.73 PPARG (0.40) MEN1KMT2AHAO1F2HPGD
SCHEMBL4705322 0.72 MAOB (0.51) ALDH1A1MEN1KMT2APOLBNPC1

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-20160318955-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, INC. 2016-11-03 US disclosed
US-9416146-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2016-08-16 US disclosed
US-20150291629-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, LLC 2015-10-15 US disclosed
US-9012431-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2015-04-21 US disclosed
US-20140011768-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, LLC 2014-01-09 US disclosed
US-8461135-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 US disclosed
US-20120214765-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2012-08-23 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 (4 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-20140011768-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, CD68 KDM4E 4296/4885ALDH1A1 3761/4885MEN1 3737/4885
US-20160318955-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 KDM4E 4296/4885ALDH1A1 3761/4885MEN1 3737/4885
US-20150291629-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 KDM4E 4296/4885ALDH1A1 3761/4885MEN1 3737/4885
US-20120214765-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, CD68 KDM4E 4296/4885ALDH1A1 3761/4885MEN1 3737/4885

“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.