SCHEMBL13543767

SCHEMBL13543767

CCCCOc1ccc(-c2nc3c(s2)CCC(NC(=O)OCc2ccccc2)C3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
ACHE P22303 2/20 0.44
PPARD Q03181 4/20 0.42
PPARA Q07869 4/20 0.42
TSHR P16473 1/20 0.42
EPHX1 P07099 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NAAA Q02083 1/20 0.41
ASAH1 Q13510 1/20 0.41
LMNA P02545 1/20 0.40
TAOK3 Q9H2K8 3/20 0.40
TAOK1 Q7L7X3 2/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39
TLR4 O00206 1/20 0.39

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
SCHEMBL13542096 0.93 PPARD (0.42) CA1CA2ACHEPPARDPPARA
SCHEMBL13542097 0.87 HRH3 (0.49)
SCHEMBL13542113 0.85 TSHR (0.42) CA1CA2ACHEPPARDPPARA
SCHEMBL13542112 0.80 HRH3 (0.50)
SCHEMBL3585140 0.80 PPARA (0.47) PPARDPPARAMAPTLMNA
SCHEMBL13542092 0.78 NAAA (0.42) PPARDPPARATSHREPHX1ALDH1A1
SCHEMBL13542095 0.75 PPARD (0.41) PPARDPPARATSHREPHX1ALDH1A1
SCHEMBL3576247 0.73 HRH3 (0.51)
SCHEMBL3581226 0.72 HRH3 (0.54)
SCHEMBL3582912 0.71 PPARA (0.46) PPARDPPARAMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009969-A1 Fused Oxazoles & Thiazoles As Histamine H3- Receptor Ligands UCB PHARMA, S.A. (BE) 2010-01-14 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 (1 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-20100009969-A1 Fused Oxazoles & Thiazoles As Histamine H3- Receptor Ligands HRH3, HRH4, HRH2 CA1 1874/4885CA2 1184/4885ACHE 1722/4885

“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.