SCHEMBL4769042

SCHEMBL4769042

COc1ccc(C2CCOCC2)cc1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 4/20 0.47
▸ PDE4B Q07343 8/20 0.44
▸ PDE4D Q08499 5/20 0.44
▸ PDE4A P27815 4/20 0.44
▸ PDE4C Q08493 4/20 0.44
▸ F2 P00734 1/20 0.42
▸ PLG P00747 1/20 0.42
▸ PLAU P00749 1/20 0.42
▸ PLAT P00750 1/20 0.42
▸ KLK1 P06870 1/20 0.42
▸ PRSS1 P07477 1/20 0.42
▸ QDPR P09417 1/20 0.41
▸ IL2 P60568 1/20 0.41
▸ MAP4K1 Q92918 1/20 0.41
▸ PIK3CD O00329 1/20 0.40
▸ SLC6A9 P48067 1/20 0.40

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
SCHEMBL4638391 0.86 PDE4B (0.52) KDM1APDE4BPDE4DPDE4APDE4C
SCHEMBL31191740 0.78 PDE4B (0.61) KDM1APDE4BPDE4DPDE4APDE4C
SCHEMBL5044212 0.78 PDE4B (0.40) KDM1APDE4BPDE4DPDE4APDE4C
SCHEMBL4766178 0.78 TUBB4A (0.50) PDE4BPDE4DPDE4APDE4CF2
SCHEMBL31525337 0.75 CA2 (0.49) PDE4BPDE4DPDE4APDE4CQDPR
SCHEMBL519132 0.75 SERPINE1 (0.41) KDM1A
SCHEMBL23635957 0.75 PDE4B (0.49) KDM1APDE4BPDE4DPDE4APDE4C
SCHEMBL4574250 0.75 HTT (0.48) PDE4BPDE4DPDE4APDE4CQDPR
SCHEMBL3314819 0.75 ALDH1A1 (0.46) PDE4BPDE4DPDE4APDE4CQDPR
SCHEMBL31063362 0.75 KDM1A (0.54) KDM1APDE4BPDE4DPDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636217-B1 2-IMIDAZO-BENZOTHIAZOLES AS ADENOSINE RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2008-09-03 — — EP disclosed
US-7122545-B2 Imidazo-benzothiazoles HOFFMANN-LA ROCHE INC. (US) 2006-10-17 — — US disclosed
EP-1636217-A1 2-IMIDAZO-BENZOTHIAZOLES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-22 — — EP disclosed
WO-2004101558-A1 2-IMIDAZO-BENZOTHIAZOLES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-25 — — WO disclosed
US-20040229862-A1 Imidazo-benzothiazoles F. HOFFMAN-LA ROCHE AG (CH) 2004-11-18 — — 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-20040229862-A1 Imidazo-benzothiazoles ADORA1, ADORA3, ADORA2A KDM1A 2822/4885PDE4B 751/4885PDE4D 957/4885

“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.

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