SCHEMBL5039481

SCHEMBL5039481

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.46
ALDH1A1 P00352 4/20 0.44
MAPT P10636 2/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ADORA2A P29274 8/20 0.42
ADORA1 P30542 8/20 0.42
ADORA2B P29275 1/20 0.39
TP53 P04637 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
PKM P14618 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DYRK1A Q13627 1/20 0.37
F2 P00734 1/20 0.37
PLG P00747 1/20 0.37
PLAU P00749 1/20 0.37

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
SCHEMBL5041024 0.88 CHRM4 (0.43) CHRM4ALDH1A1MAPTTSHRHSD17B10
Hydrochloric Acid SCHEMBL6177807 0.85 CHRM4 (0.45) CHRM4ALDH1A1MAPTTSHRHSD17B10
SCHEMBL6180415 0.83 MAPT (0.44) CHRM4ALDH1A1MAPTTSHRHSD17B10
SCHEMBL5035963 0.83 CYP3A4 (0.46) CHRM4ALDH1A1MAPTTSHRHSD17B10
SCHEMBL6179672 0.82 ALDH1A1 (0.57) CHRM4ALDH1A1MAPTTSHRHSD17B10
SCHEMBL14337671 0.82 ALDH1A1 (0.57) CHRM4ALDH1A1MAPTTSHRHSD17B10
SCHEMBL5565979 0.81 CHRM4 (0.41) CHRM4ALDH1A1MAPTTSHRHSD17B10
SCHEMBL6628430 0.81 ALDH1A1 (0.42) CHRM4ALDH1A1MAPTTSHRHSD17B10
SCHEMBL20702415 0.81 ALK (0.38)
SCHEMBL24349660 0.78 ADORA2A (0.67) 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 20 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
EP-1456202-B1 BENZOTHIAZOLES HOFFMANN LA ROCHE (CH) 2005-11-09 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
EP-1456202-A1 BENZOTHIAZOLES F. Hoffman-la Roche AG (CH) 2004-09-15 EP claimed
US-6734179-B2 SULFUR COMPOUNDS SUCH AS 4-FLUORO-N-(4-METHOXY-7-(TETRAHYDRO-PYRAN-4-YL)-BENZOTHIAZOL-2-YL) -BENZAMIDE, USED AS PREFERENTIAL ADENOSINE RECEPTOR LIGANDS FOR THE PROPHYLAXIS OF NEURODEGENERATIVE DISORDERS HOFFMANN-LA ROCHE INC. 2004-05-11 US claimed
US-20030144288-A1 Benzothiazoles F. HOFFMAN-LA ROCHE AG A SWISS COMPANY (CH) 2003-07-31 US claimed
WO-2003053961-A1 BENZOTHIAZOLES F. HOFFMAN-LA ROCHE AG (CH) 2003-07-03 WO 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
EP-1456202-B1 BENZOTHIAZOLES HOFFMANN LA ROCHE (CH) 2005-11-09 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
EP-1456202-A1 BENZOTHIAZOLES F. Hoffman-la Roche AG (CH) 2004-09-15 EP disclosed
US-6734179-B2 SULFUR COMPOUNDS SUCH AS 4-FLUORO-N-(4-METHOXY-7-(TETRAHYDRO-PYRAN-4-YL)-BENZOTHIAZOL-2-YL) -BENZAMIDE, USED AS PREFERENTIAL ADENOSINE RECEPTOR LIGANDS FOR THE PROPHYLAXIS OF NEURODEGENERATIVE DISORDERS HOFFMANN-LA ROCHE INC. 2004-05-11 US disclosed
US-20030144288-A1 Benzothiazoles F. HOFFMAN-LA ROCHE AG A SWISS COMPANY (CH) 2003-07-31 US disclosed
WO-2003053961-A1 BENZOTHIAZOLES F. HOFFMAN-LA ROCHE AG (CH) 2003-07-03 WO 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-20040235915-A1 Benzothiazole derivatives ADORA1, ADORA2A, ADORA3 CHRM4 346/4885ALDH1A1 114/4885MAPT 252/4885
US-20030144288-A1 Benzothiazoles ADORA2A, ADORA1, ADORA2B CHRM4 1067/4885ALDH1A1 89/4885MAPT 3686/4885

“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.