SCHEMBL11993072

SCHEMBL11993072

CC(=O)c1ccc(Cl)nc1C(C)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 5/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36
TUBB6 Q9BUF5 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
SCHEMBL9632775 0.88 GABRP (0.43) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL25307810 0.83 TUBB4A (0.47) SMN1; SMN2ALDH1A1LMNAMAPTGAA
SCHEMBL3702546 0.81 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL19091568 0.81 ALDH1A1 (0.48) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL30436565 0.81 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL9632789 0.79 TSHR (0.47) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL721848 0.79 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL20209504 0.79 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL12410963 0.79 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL30996511 0.79 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A

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 7 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

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-20140011768-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, CD68 SMN1; SMN2 4212/4885ALDH1A1 3761/4885LMNA 3610/4885
US-20160318955-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 SMN1; SMN2 4212/4885ALDH1A1 3761/4885LMNA 3610/4885
US-20150291629-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 SMN1; SMN2 4212/4885ALDH1A1 3761/4885LMNA 3610/4885
US-20120214765-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, CD68 SMN1; SMN2 4212/4885ALDH1A1 3761/4885LMNA 3610/4885

“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.