SCHEMBL2231706

SCHEMBL2231706

N#Cc1ccc(Oc2ccc(Br)c(C=O)c2)nc1N1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 10/20 0.44
CASP7 P55210 10/20 0.44
ALOX15 P16050 8/20 0.44
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
TDP1 Q9NUW8 5/20 0.44
MAPT P10636 5/20 0.44
MAPK1 P28482 4/20 0.44
RUNX1 Q01196 1/20 0.44
CBFB Q13951 1/20 0.44
KDM4E B2RXH2 10/20 0.43
ALDH1A1 P00352 9/20 0.43
L3MBTL1 Q9Y468 5/20 0.43
RAB9A P51151 3/20 0.43
TP53 P04637 2/20 0.43
PABPC1 P11940 1/20 0.43
APEX1 P27695 1/20 0.43
ATM Q13315 1/20 0.43
HRH3 Q9Y5N1 1/20 0.40
HSD17B10 Q99714 6/20 0.38

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
SCHEMBL2527670 0.91 RXFP1 (0.44) CASP1CASP7ALOX15MEN1KMT2A
SCHEMBL7995436 0.87 CASP1 (0.44) CASP1CASP7ALOX15MEN1KMT2A
SCHEMBL7865617 0.81 ALDH1A1 (0.30) ALDH1A1
SCHEMBL2230778 0.81 MEN1 (0.37) CASP1CASP7ALOX15MEN1KMT2A
SCHEMBL8375226 0.80 CASP1 (0.39) CASP1CASP7ALOX15MEN1KMT2A
SCHEMBL2229800 0.80 CASP1 (0.40) CASP1CASP7ALOX15MEN1KMT2A
SCHEMBL2229855 0.80 HRH3 (0.35) MEN1KMT2AKDM4EALDH1A1HRH3
SCHEMBL2532242 0.78 KDM4E (0.42) MEN1KMT2AMAPK1KDM4EALDH1A1
SCHEMBL2232318 0.77 HRH3 (0.39) CASP1CASP7MAPTMAPK1KDM4E
SCHEMBL2525575 0.77 HRH3 (0.35) KDM4EALDH1A1HRH3GAAFFAR4

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3246034-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS Anacor Pharmaceuticals, Inc. (US) 2017-11-22 EP disclosed
EP-3246034-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS Anacor Pharmaceuticals, Inc. (US) 2017-11-22 EP disclosed
EP-2564857-B1 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS INC (US) 2017-05-03 EP disclosed
EP-2564857-B1 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS INC (US) 2017-05-03 EP disclosed
US-20160318955-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, INC. 2016-11-03 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-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-20150291629-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, LLC 2015-10-15 US disclosed
US-20120214765-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2012-08-23 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-20110166104-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-07-07 US disclosed
EP-2187893-A2 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS Anacor Pharmaceuticals, Inc. (US) 2010-05-26 EP disclosed
WO-2010028005-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2010-03-11 WO disclosed
WO-2010028005-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2010-03-11 WO disclosed
US-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, INC. (US) 2009-11-26 US disclosed
WO-2009111676-A2 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC (US) 2009-09-11 WO disclosed
WO-2009111676-A2 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC (US) 2009-09-11 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 (5 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-20110166104-A1 BORON-CONTAINING SMALL MOLECULES NFKBIA, BCL6B, TNF CASP1 278/4885CASP7 2170/4885ALOX15 983/4885
US-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 CASP1 96/4885CASP7 651/4885ALOX15 316/4885
US-20160318955-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 CASP1 96/4885CASP7 651/4885ALOX15 316/4885
US-20150291629-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 CASP1 96/4885CASP7 651/4885ALOX15 316/4885
US-20120214765-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, CD68 CASP1 96/4885CASP7 651/4885ALOX15 316/4885

“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.