SCHEMBL11993092

SCHEMBL11993092

O=CNc1ccc(Cl)nc1OC1CCCC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.34
CDK9 P50750 3/20 0.34
HDAC6 Q9UBN7 3/20 0.34
JAK3 P52333 2/20 0.33
P2RX7 Q99572 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
HDAC1 Q13547 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CNR1 P21554 3/20 0.31
MCHR1 Q99705 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HRH4 Q9H3N8 1/20 0.30
S1PR1 P21453 1/20 0.30
TTK P33981 1/20 0.30

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
SCHEMBL9576102 0.77 PTGS2 (0.49) SMN1; SMN2
SCHEMBL908706 0.75 MERTK (0.37) L3MBTL1SMN1; SMN2
SCHEMBL2230794 0.72 MAOA (0.36) L3MBTL1CNR1MCHR1
SCHEMBL22149661 0.72 PDE4D (0.36) L3MBTL1
SCHEMBL11993104 0.72 MAPT (0.37) L3MBTL1
SCHEMBL30350540 0.72 CRHBP (0.48) HDAC3CDK9HDAC6JAK3HDAC1
SCHEMBL19510674 0.72 CRHBP (0.48) HDAC3CDK9HDAC6JAK3HDAC1
SCHEMBL11993108 0.70 MAPK1 (0.35) MCHR1SMN1; SMN2
SCHEMBL2231942 0.70 MKNK1 (0.43) HDAC3CDK9HDAC6
SCHEMBL19510827 0.69 MCHR1 (0.38) JAK3MCHR1HRH4

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-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-20120214765-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2012-08-23 US disclosed
US-20110166104-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-07-07 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 HDAC3 659/4885CDK9 2355/4885HDAC6 420/4885
US-20110166104-A1 BORON-CONTAINING SMALL MOLECULES NFKBIA, BCL6B, TNF HDAC3 435/4885CDK9 1561/4885HDAC6 122/4885
US-20160318955-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 HDAC3 659/4885CDK9 2355/4885HDAC6 420/4885
US-20150291629-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 HDAC3 659/4885CDK9 2355/4885HDAC6 420/4885
US-20120214765-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, CD68 HDAC3 659/4885CDK9 2355/4885HDAC6 420/4885

“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.