SCHEMBL7865338

SCHEMBL7865338

[C-]#[N+]c1ccc(Cl)nc1N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
KDM4E B2RXH2 4/20 0.39
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ADK P55263 1/20 0.36
PIK3R1 P27986 2/20 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
SCHEMBL12858071 0.77 PIK3CA (0.43) POLBKDM4EMAPTALDH1A1GAA
SCHEMBL7931744 0.76 MAPT (0.49) POLBKDM4EMAPTCYP1A2CYP2D6
SCHEMBL31284102 0.76 ALDH1A1 (0.49) POLBKDM4EMAPTCYP1A2CYP2D6
SCHEMBL26879467 0.76 ALDH1A1 (0.49) POLBKDM4EMAPTCYP1A2CYP2D6
SCHEMBL2529273 0.72 POLB (0.53) POLBKDM4EMAPTALDH1A1GAA
SCHEMBL27657858 0.72 POLB (0.44) POLBKDM4EMAPTCYP1A2CYP2D6
SCHEMBL1239129 0.72 POLB (0.44) POLBKDM4EMAPTCYP1A2CYP2D6
SCHEMBL2231719 0.71 AURKA (0.50) POLBKDM4EMAPTCYP1A2CYP2D6
SCHEMBL30742492 0.71 ALDH1A1 (0.51) POLBKDM4EMAPTCYP1A2CYP2D6
SCHEMBL26879659 0.71 ALDH1A1 (0.51) POLBKDM4EMAPTCYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-8461135-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 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-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, INC. (US) 2009-11-26 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 (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-20140011768-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, CD68 POLB 1963/4885KDM4E 4296/4885MAPT 3509/4885
US-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 POLB 1963/4885KDM4E 4296/4885MAPT 3509/4885
US-20160318955-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 POLB 1963/4885KDM4E 4296/4885MAPT 3509/4885
US-20150291629-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 POLB 1963/4885KDM4E 4296/4885MAPT 3509/4885
US-20120214765-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, CD68 POLB 1963/4885KDM4E 4296/4885MAPT 3509/4885

“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.