SCHEMBL12733231

SCHEMBL12733231

[C-]#[N+]c1c(Br)ccc[n+]1[O-]

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 2/20 0.31

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
SCHEMBL11865950 0.70
SCHEMBL11916708 0.69
SCHEMBL15528571 0.67
SCHEMBL2084320 0.67
SCHEMBL25300043 0.62 HTT (0.38) HTTHSP90AA1MAPTLMNA
SCHEMBL29131022 0.62 MAPT (0.38) HTTHSP90AA1MAPTLMNA
SCHEMBL30510453 0.62 HTT (0.38) HTTHSP90AA1MAPTLMNA
SCHEMBL1009055 0.62 MAPT (0.38) HTTHSP90AA1MAPTLMNA
SCHEMBL30979017 0.62 MAPT (0.38) HTTHSP90AA1MAPTLMNA
SCHEMBL30873742 0.62 MAPT (0.46) HTTHSP90AA1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895577-B2 Compounds and compositions as TLR activity modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2014-11-25 US disclosed
US-20130253002-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2013-09-26 US disclosed
US-8466167-B2 Compounds and compositions as TLR activity modulators IRM LLC (BM) 2013-06-18 US disclosed
US-20110081365-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2011-04-07 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 (2 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-20130253002-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS TLR5, TLR8, TLR7 HTT 4336/4885HSP90AA1 3777/4885MAPT 3776/4885
US-20110081365-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS TLR5, TLR8, TLR7 HTT 4336/4885HSP90AA1 3777/4885MAPT 3776/4885

“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.