SCHEMBL5044211

SCHEMBL5044211

COc1ccc(C2CCOCC2)cc1NC(N)=S

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ IL2 P60568 1/20 0.41
▸ MAP4K1 Q92918 1/20 0.41
▸ CCR5 P51681 2/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ PDE4B Q07343 2/20 0.40
▸ F2 P00734 1/20 0.40
▸ PLG P00747 1/20 0.40
▸ PLAU P00749 1/20 0.40
▸ PLAT P00750 1/20 0.40
▸ KLK1 P06870 1/20 0.40
▸ PRSS1 P07477 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ PDE4C Q08493 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
SCHEMBL6179442 0.87 L3MBTL1 (0.47) ALDH1A1L3MBTL1TDP1PDE4BPDE4A
SCHEMBL14183100 0.83 GAA (0.37) HTTALDH1A1SMN1; SMN2L3MBTL1KDM4E
SCHEMBL4574907 0.80 EPHX1 (0.57) CCR5ALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL6874566 0.78 HTT (0.41) HTTPOLBALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL8305176 0.76 IL2 (0.39) IL2MAP4K1CCR5PDE4BF2
SCHEMBL6875789 0.76 HTT (0.39) HTTPOLBALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL4766178 0.75 TUBB4A (0.50) HTTIL2MAP4K1ALDH1A1L3MBTL1
SCHEMBL4769042 0.75 KDM1A (0.47) IL2MAP4K1PDE4BF2PLG
SCHEMBL3042603 0.74 ALDH1A1 (0.54) HTTPOLBALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL4574092 0.72 HTR6 (0.50) HTTCCR5ALDH1A1SMN1; SMN2L3MBTL1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371748-B2 Benzothiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2008-05-13 — — US disclosed
WO-2008052930-A2 PREPARATION OF 4-ALK0XY-7- (TETRAHYDROPYRAN-4-YL) BENZOTHIAZOL-2-AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-08 — — WO disclosed
US-20080108826-A1 PREPARATION OF 4-ALKOXY-7-(TETRAHYDRO-PYRAN-4-YL)-BENZOTHIAZOL-2-YLAMINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-05-08 — — US disclosed
US-20080108826-A1 PREPARATION OF 4-ALKOXY-7-(TETRAHYDRO-PYRAN-4-YL)-BENZOTHIAZOL-2-YLAMINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-05-08 — — US disclosed
EP-1636223-B1 BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2008-03-19 — — EP disclosed
US-7304058-B2 For therapy of Alzheimer's disease, depression HOFFMANN-LA ROCHE INC. (US) 2007-12-04 — — US disclosed
US-7304058-B2 For therapy of Alzheimer's disease, depression HOFFMANN-LA ROCHE INC. (US) 2007-12-04 — — US disclosed
US-7304058-B2 For therapy of Alzheimer's disease, depression HOFFMANN-LA ROCHE INC. (US) 2007-12-04 — — US disclosed
EP-1628662-B1 BENZOTHIAZOLE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF DISEASES RELATED TO THE ADENOSINE A2A RECEPTOR HOFFMANN LA ROCHE (CH) 2007-02-14 — — EP disclosed
EP-1628662-B1 BENZOTHIAZOLE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF DISEASES RELATED TO THE ADENOSINE A2A RECEPTOR HOFFMANN LA ROCHE (CH) 2007-02-14 — — 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
WO-2004103367-A1 BENZOTHIAZOLE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF DISEASES RELATES TO THE ADENOSINE A2A RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2004-12-02 — — WO disclosed
US-20040235915-A1 Benzothiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-11-25 — — US disclosed
US-20040235842-A1 Carbamic acid esters of benzothiazoles 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-20040138465-A1 Cyclization process for substituted benzothiazole derivatives HOFFMANN-LA ROCHE INC. 2004-07-15 — — US 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 (5 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 HTT 587/4885POLB 3160/4885IL2 1716/4885
US-20040235842-A1 Carbamic acid esters of benzothiazoles ADORA2A, ADORA1, ADORA2B HTT 1275/4885POLB 4580/4885IL2 2471/4885
US-20080108826-A1 PREPARATION OF 4-ALKOXY-7-(TETRAHYDRO-PYRAN-4-YL)-BENZOTHIAZOL-2-YLAMINE DERIVATIVES HTR7, HTR4, BRD7 HTT 99/4885POLB 2932/4885IL2 1248/4885
US-20030144288-A1 Benzothiazoles ADORA2A, ADORA1, ADORA2B HTT 2167/4885POLB 3105/4885IL2 2939/4885
US-20040138465-A1 Cyclization process for substituted benzothiazole derivatives CBR3, CBR1, OXTR HTT 1595/4885POLB 2539/4885IL2 2707/4885

“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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