SCHEMBL2232809

SCHEMBL2232809

CCOc1nc(Cl)ccc1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.41
PARP10 Q53GL7 1/20 0.41
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NNMT P40261 1/20 0.38
NPC1 O15118 1/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
PDE4D Q08499 5/20 0.38
PDE4B Q07343 2/20 0.38
MAPK1 P28482 1/20 0.37
MAPK8 P45983 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL2526740 0.88 CNR1 (0.45) CNR1RAB9ANNMTLMNAHTT
SCHEMBL29739998 0.85 GABRP (0.46) CNR1PARP10MKNK1MKNK2NNMT
SCHEMBL17560242 0.85 POLB (0.44) RAB9AL3MBTL1NPC1TSHRLMNA
SCHEMBL19329161 0.84 POLB (0.42) RAB9AL3MBTL1NPC1TSHRLMNA
SCHEMBL2528123 0.83 XDH (0.40) RAB9AL3MBTL1NNMTTSHRHTT
Lithium Ion SCHEMBL19329162 0.83 L3MBTL1 (0.38) L3MBTL1NPC1TSHRPDE4DPDE4B
SCHEMBL424710 0.83 L3MBTL1 (0.48) RAB9AL3MBTL1NPC1TSHRLMNA
SCHEMBL424839 0.83 TUBB4A (0.47) CNR1RAB9AL3MBTL1NPC1TSHR
SCHEMBL29361411 0.81 NNMT (0.49) RAB9AL3MBTL1NNMTNPC1TSHR
SCHEMBL2527039 0.81 NNMT (0.49) RAB9AL3MBTL1NNMTNPC1TSHR

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 42 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-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-9416146-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2016-08-16 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
US-20110166104-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-07-07 US 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
US-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, INC. (US) 2009-11-26 US 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

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-20110166104-A1 BORON-CONTAINING SMALL MOLECULES NFKBIA, BCL6B, TNF CNR1 1461/4885PARP10 1139/4885MKNK1 2394/4885
US-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 CNR1 1918/4885PARP10 2234/4885MKNK1 3623/4885
US-20160318955-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 CNR1 1918/4885PARP10 2234/4885MKNK1 3623/4885

“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.