SCHEMBL7865491

SCHEMBL7865491

[C-]#[N+]c1ccc(Cl)nc1OC(C)C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 2/20 0.33

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
SCHEMBL7863733 0.80 CRHBP (0.37) CRHBPCRHR2MAPTL3MBTL1MEN1
SCHEMBL7865497 0.79 CCR4 (0.39) CRHBPCRHR2L3MBTL1MEN1KMT2A
SCHEMBL7862953 0.73 CRHBP (0.33) CRHBPCRHR2L3MBTL1
SCHEMBL16931085 0.73 MCHR1 (0.38) CRHBPCRHR2MAPTL3MBTL1MEN1
SCHEMBL7864132 0.72 CRHBP (0.32) CRHBPCRHR2
SCHEMBL7862952 0.70 CRHBP (0.33) CRHBPCRHR2
SCHEMBL5530391 0.70 CHRNB2 (0.33)
SCHEMBL2527140 0.69 CNR1 (0.47) CRHBPCRHR2MAPTL3MBTL1MEN1
SCHEMBL7862744 0.69 MCHR1 (0.33) CRHBPCRHR2L3MBTL1
SCHEMBL7861822 0.69 CRHBP (0.30) CRHBPCRHR2

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 CRHBP 535/4885CRHR2 1119/4885MAPT 3509/4885
US-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 CRHBP 535/4885CRHR2 1119/4885MAPT 3509/4885
US-20160318955-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 CRHBP 535/4885CRHR2 1119/4885MAPT 3509/4885
US-20150291629-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 CRHBP 535/4885CRHR2 1119/4885MAPT 3509/4885
US-20120214765-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, CD68 CRHBP 535/4885CRHR2 1119/4885MAPT 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.