SCHEMBL2230830

SCHEMBL2230830

CCOc1nc(Cl)ccc1C#N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.61
GAA P10253 1/20 0.61
KDM4E B2RXH2 2/20 0.59
MAPT P10636 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
MAPK8 P45983 4/20 0.43
MAPK9 P45984 3/20 0.43
MAPK10 P53779 2/20 0.43
SQOR Q9Y6N5 1/20 0.39
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
RPS6KA5 O75582 1/20 0.36
RPS6KA4 O75676 1/20 0.36
PIN1 Q13526 1/20 0.36
GLA P06280 1/20 0.35
NPC1 O15118 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL2526968 0.87 L3MBTL1 (0.48) L3MBTL1GAAKDM4EMAPTTDP1
SCHEMBL8012552 0.82 MAP3K7 (0.45) L3MBTL1GAAKDM4EMAPTTDP1
SCHEMBL10371014 0.81 L3MBTL1 (0.55) L3MBTL1GAAKDM4EMAPTTDP1
SCHEMBL29983776 0.80 L3MBTL1 (0.58) L3MBTL1GAAKDM4EMAPTTDP1
SCHEMBL2176428 0.80 L3MBTL1 (0.58) L3MBTL1GAAKDM4EMAPTTDP1
SCHEMBL1145995 0.79 GAA (0.54) L3MBTL1GAAKDM4EMAPTTDP1
SCHEMBL2523444 0.79 MBOAT4 (0.46) L3MBTL1GAAKDM4EMAPTTDP1
SCHEMBL2529489 0.79 MBOAT4 (0.46) L3MBTL1GAAKDM4EMAPTTDP1
SCHEMBL1901810 0.77 L3MBTL1 (0.51) L3MBTL1GAAKDM4EMAPTTDP1
SCHEMBL22701726 0.76 KDM4E (0.48) KDM4EMAPTMEN1ALDH1A1KMT2A

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 33 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-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
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 (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-20110166104-A1 BORON-CONTAINING SMALL MOLECULES NFKBIA, BCL6B, TNF L3MBTL1 2902/4885GAA 387/4885KDM4E 3700/4885
US-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 L3MBTL1 2758/4885GAA 726/4885KDM4E 4296/4885
US-20160318955-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 L3MBTL1 2758/4885GAA 726/4885KDM4E 4296/4885
US-20150291629-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 L3MBTL1 2758/4885GAA 726/4885KDM4E 4296/4885

“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.