SCHEMBL2178837

SCHEMBL2178837

COc1nc(N(C(=O)OC(C)(C)C)c2ccc(Br)c(C)c2)ccc1C#N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 2/20 0.35
HPGD P15428 1/20 0.35
TP53 P04637 1/20 0.32
HTT P42858 1/20 0.32
EGFR P00533 1/20 0.31
ERBB2 P04626 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GLA P06280 1/20 0.31
AAK1 Q2M2I8 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MT-CO2 P00403 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 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
SCHEMBL2176988 0.88 AAK1 (0.33) GAAKDM4EALDH1A1MEN1KMT2A
SCHEMBL2177886 0.85 GAA (0.30) GAA
SCHEMBL2177080 0.77 PDE4B (0.44)
SCHEMBL2179019 0.77 MT-CO2 (0.35) GAAMT-CO2
SCHEMBL2181102 0.72 PDE4A (0.32)
SCHEMBL22980358 0.69 SSTR4 (0.37) AAK1
SCHEMBL18179676 0.68 AAK1 (0.38) GAAKDM4EALDH1A1GLAAAK1
SCHEMBL31709536 0.67 SSTR4 (0.36)
SCHEMBL23713292 0.67 BRD4 (0.39) ALDH1A1MEN1KMT2AEGFRGLA
SCHEMBL18625515 0.66 AAK1 (0.36) GAAKDM4EALDH1A1GLAAAK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130289000-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS INC (US) 2013-10-31 US disclosed
US-8470803-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2013-06-25 US disclosed
EP-2348863-A1 BORON-CONTAINING SMALL MOLECULES Anacor Pharmaceuticals, Inc. (US) 2011-08-03 EP disclosed
US-20110166103-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-07-07 US disclosed
WO-2010027975-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2010-03-11 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 (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-20110166103-A1 BORON-CONTAINING SMALL MOLECULES NFKBIA, BCL6B, TNF GAA 387/4885KDM4E 3700/4885ALDH1A1 4038/4885
US-20130289000-A1 BORON-CONTAINING SMALL MOLECULES NFKBIA, BCL6B, TNF GAA 387/4885KDM4E 3700/4885ALDH1A1 4038/4885

“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.