SCHEMBL7862234

SCHEMBL7862234

[C-]#[N+]c1ccc(Oc2ccc(Br)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA1 P00915 1/20 0.39
LTA4H P09960 2/20 0.38
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP14 P50281 1/20 0.37
CA14 Q9ULX7 1/20 0.37
PTGS2 P35354 1/20 0.37
CYP2A6 P11509 1/20 0.36
SRD5A2 P31213 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
CYP3A4 P08684 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
SCHEMBL11604292 0.88 ALDH1A1 (0.41) MAPTMAOACA2CA9CA1
SCHEMBL997985 0.85
SCHEMBL3843978 0.80 MAPT (0.74) MAPTMAOAMAOBCA2CA9
SCHEMBL3842527 0.80 MAPT (0.74) MAPTMAOAMAOBCA2CA9
SCHEMBL391385 0.80 MAPT (0.74) MAPTMAOAMAOBCA2CA9
SCHEMBL4752589 0.79 LTA4H (0.57) MAOAMAOBCA2CA9CA1
SCHEMBL13019607 0.78 ALDH1A1 (0.48) MAPTCA2CA9CYP2A6ALDH1A1
SCHEMBL12908103 0.77 TEAD4 (0.52) MAPTCA2CA9CA1ALDH1A1
Phosphine SCHEMBL23732402 0.77 MAPT (0.70) MAPTMAOAMAOBCA2CA9
Hydrogen Sulfide SCHEMBL8755564 0.75 MAPT (0.67) MAPTMAOAMAOBCA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170258819-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, INC. 2017-09-14 US disclosed
US-9682092-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2017-06-20 US disclosed
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-20150216885-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, LLC 2015-08-06 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-8501712-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2013-08-06 US disclosed
US-8461336-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 US disclosed
US-8461135-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 US disclosed
US-20120264714-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2012-10-18 US disclosed
US-20120214765-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2012-08-23 US disclosed
US-8168614-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2012-05-01 US disclosed
US-8039450-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2011-10-18 US disclosed
US-20110166104-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-07-07 US disclosed
US-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, INC. (US) 2009-11-26 US disclosed
US-20070293457-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, LLC 2007-12-20 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 (10 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 MAPT 3509/4885MAOA 3612/4885MAOB 1543/4885
US-20110166104-A1 BORON-CONTAINING SMALL MOLECULES NFKBIA, BCL6B, TNF MAPT 469/4885MAOA 3921/4885MAOB 1740/4885
US-20150216885-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, TNF MAPT 3573/4885MAOA 3325/4885MAOB 1239/4885
US-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 MAPT 3509/4885MAOA 3612/4885MAOB 1543/4885
US-20160318955-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 MAPT 3509/4885MAOA 3612/4885MAOB 1543/4885
US-20120264714-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, TNF MAPT 3573/4885MAOA 3325/4885MAOB 1239/4885
US-20070293457-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, TNF MAPT 3573/4885MAOA 3325/4885MAOB 1239/4885
US-20170258819-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, TNF MAPT 3573/4885MAOA 3325/4885MAOB 1239/4885
US-20150291629-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 MAPT 3509/4885MAOA 3612/4885MAOB 1543/4885
US-20120214765-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, CD68 MAPT 3509/4885MAOA 3612/4885MAOB 1543/4885

“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.