SCHEMBL2473387

SCHEMBL2473387

COc1ccc(C2CCN(c3c(C)c(C)c4c(c3C)C(O)(c3ccsc3)C(C)(C)O4)CC2)cc1OC

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 9/20 0.37
TLR9 Q9NR96 8/20 0.34
PDE4B Q07343 4/20 0.34
QDPR P09417 2/20 0.33
HIF1A Q16665 1/20 0.33
TLR4 O00206 1/20 0.33
TLR3 O15455 1/20 0.33
TLR8 Q9NR97 1/20 0.33
KCNH2 Q12809 3/20 0.32
ALDH1A1 P00352 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 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
SCHEMBL2471127 0.88 KCNH2 (0.37) TLR7PDE4BQDPRHIF1AKCNH2
SCHEMBL2468198 0.88 DPP4 (0.37) TLR7PDE4BQDPRHIF1ATLR4
SCHEMBL2471500 0.87 SIGMAR1 (0.35) TLR7PDE4BQDPRHIF1AKCNH2
SCHEMBL2468200 0.85 HIF1A (0.40) TLR7PDE4BQDPRHIF1AKCNH2
SCHEMBL2472402 0.77 TLR7 (0.35) TLR7TLR9QDPRHIF1ATLR4
SCHEMBL2470978 0.73 HIF1A (0.40) TLR7TLR9PDE4BQDPRHIF1A
SCHEMBL2470599 0.71 QDPR (0.39) TLR7PDE4BQDPRHIF1AKCNH2
SCHEMBL2471799 0.70 TLR4 (0.39) TLR7PDE4BQDPRHIF1ATLR4
SCHEMBL2471801 0.70 TLR4 (0.39) TLR7PDE4BQDPRHIF1ATLR4
SCHEMBL2471613 0.69 TLR4 (0.40) TLR7PDE4BQDPRHIF1ATLR4

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
EP-1411052-B1 BENZO-FUSED 5-MEMBERED HETROCYCLE COMPOUNDS,PROCESS FOR PREPARATION OF THE SAME, AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2011-10-05 EP claimed
EP-1411052-B1 BENZO-FUSED 5-MEMBERED HETROCYCLE COMPOUNDS,PROCESS FOR PREPARATION OF THE SAME, AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2011-10-05 EP disclosed
US-20070149558-A1 Benzo-fused 5-membered heterocyclic compounds, their production and use OHKAWA SHIGENORI 2007-06-28 US disclosed
US-20070149558-A1 Benzo-fused 5-membered heterocyclic compounds, their production and use OHKAWA SHIGENORI 2007-06-28 US disclosed
US-20070149558-A1 Benzo-fused 5-membered heterocyclic compounds, their production and use OHKAWA SHIGENORI 2007-06-28 US disclosed
US-7208495-B2 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-24 US disclosed
US-7208495-B2 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-24 US disclosed
US-20040167171-A1 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-08-26 US disclosed
EP-1411052-A1 BENZO-FUSED 5-MEMBERED HETROCYCLE COMPOUNDS,PROCESS FOR PREPARATION OF THE SAME, AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-04-21 EP 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-20070149558-A1 Benzo-fused 5-membered heterocyclic compounds, their production and use CBR1, DBH, PARK7 TLR7 2705/4885TLR9 3204/4885PDE4B 4250/4885
US-20040167171-A1 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof CYP8B1, PARK7, OXER1 TLR7 3905/4885TLR9 4468/4885PDE4B 4132/4885

“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.