SCHEMBL4574909

SCHEMBL4574909

COc1ccc(C2CCOCC2)cc1NC(=O)N(S)C(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 7/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ LTB4R Q15722 1/20 0.39
▸ PDE4D Q08499 2/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ AHR P35869 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
SCHEMBL6875469 0.83 SMN1; SMN2 (0.40) CCR5SMN1; SMN2MAPTALOX15HTT
SCHEMBL6878390 0.81 MAPT (0.40) CCR5SMN1; SMN2MAPTALOX15HTT
SCHEMBL3053533 0.80 MAPT (0.52) SMN1; SMN2MAPTALOX15MEN1KMT2A
SCHEMBL4574907 0.79 EPHX1 (0.57) CCR5SMN1; SMN2MAPTALOX15MEN1
SCHEMBL5563645 0.74 MAPT (0.35) SMN1; SMN2MAPTALOX15HTTMEN1
SCHEMBL5559741 0.74 MAPT (0.46) SMN1; SMN2MAPTALOX15MEN1KMT2A
SCHEMBL5044211 0.72 HTT (0.44) CCR5SMN1; SMN2HTTALDH1A1PDE4D
SCHEMBL6878049 0.71 ALDH1A1 (0.41) SMN1; SMN2MAPTHTTHDAC1HDAC8
SCHEMBL5713585 0.71 HDAC1 (0.42) SMN1; SMN2MAPTHTTHDAC1HDAC8
SCHEMBL5044212 0.71 PDE4B (0.40) PDE4DPDE4APDE4BPDE4C

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 17 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 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
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
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-1636223-A1 BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. Hoffman-la Roche AG (CH) 2006-03-22 — — EP disclosed
EP-1628662-A1 BENZOTHIAZOLE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF DISEASES RELATED TO THE ADENOSINE A2A RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2006-03-01 — — 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-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 (4 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 CCR5 1729/4885SMN1; SMN2 802/4885MAPT 252/4885
US-20040235842-A1 Carbamic acid esters of benzothiazoles ADORA2A, ADORA1, ADORA2B CCR5 533/4885SMN1; SMN2 2839/4885MAPT 3686/4885
US-20080108826-A1 PREPARATION OF 4-ALKOXY-7-(TETRAHYDRO-PYRAN-4-YL)-BENZOTHIAZOL-2-YLAMINE DERIVATIVES HTR7, HTR4, BRD7 CCR5 3810/4885SMN1; SMN2 2466/4885MAPT 290/4885
US-20030144288-A1 Benzothiazoles ADORA2A, ADORA1, ADORA2B CCR5 1226/4885SMN1; SMN2 2702/4885MAPT 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.

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