SCHEMBL5036082

SCHEMBL5036082

COc1ccc(C2CCOCC2)c2sc(NC(=O)N(C)C3CCOCC3)nc12

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
MAPT P10636 1/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ADORA2A P29274 11/20 0.47
ADORA1 P30542 11/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
ADORA2B P29275 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CHRM4 P08173 2/20 0.45
PKM P14618 1/20 0.45
ATM Q13315 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.42
RCE1 Q9Y256 1/20 0.42
ADORA3 P0DMS8 1/20 0.42

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
SCHEMBL5133408 0.95 ALDH1A1 (0.48) ALDH1A1MAPTTSHRHSD17B10ADORA2A
SCHEMBL5039395 0.94 ADORA2A (0.50) ALDH1A1MAPTTSHRHSD17B10ADORA2A
SCHEMBL5035822 0.94 ADORA2A (0.50) ALDH1A1MAPTTSHRHSD17B10ADORA2A
SCHEMBL5035824 0.94 ADORA2A (0.50) ALDH1A1MAPTTSHRHSD17B10ADORA2A
SCHEMBL5040911 0.93 ADORA2A (0.47) ALDH1A1MAPTTSHRHSD17B10ADORA2A
SCHEMBL5039672 0.93 ADORA2A (0.47) ALDH1A1MAPTTSHRHSD17B10ADORA2A
SCHEMBL5040964 0.92 ADORA2A (0.49) ALDH1A1MAPTTSHRHSD17B10ADORA2A
SCHEMBL6028857 0.92 ADORA2A (0.49) ALDH1A1MAPTTSHRHSD17B10ADORA2A
SCHEMBL5039233 0.87 ALDH1A1 (0.47) ALDH1A1MAPTTSHRHSD17B10ADORA2A
SCHEMBL5133473 0.86 ADORA2A (0.47) ALDH1A1MAPTTSHRHSD17B10ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371748-B2 Benzothiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2008-05-13 US claimed
EP-1636223-B1 BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2008-03-19 EP claimed
EP-1636223-A1 BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. Hoffman-la Roche AG (CH) 2006-03-22 EP claimed
WO-2005000842-A1 BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMAN-LA ROCHE AG (CH) 2005-01-06 WO claimed
US-20040235915-A1 Benzothiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-11-25 US claimed
US-7371748-B2 Benzothiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2008-05-13 US disclosed
EP-1636223-B1 BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2008-03-19 EP disclosed
EP-1636223-A1 BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. Hoffman-la Roche AG (CH) 2006-03-22 EP disclosed
WO-2005000842-A1 BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMAN-LA ROCHE AG (CH) 2005-01-06 WO disclosed
US-20040235915-A1 Benzothiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-11-25 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-20040235915-A1 Benzothiazole derivatives ADORA1, ADORA2A, ADORA3 ALDH1A1 114/4885MAPT 252/4885TSHR 453/4885

“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.