SCHEMBL3053533

SCHEMBL3053533

COc1ccc(N2CCOCC2)cc1NC(=O)N(S)C(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.52
▸ NPC1 O15118 3/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ KMT2A Q03164 4/20 0.49
▸ ALDH1A1 P00352 4/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ PKM P14618 1/20 0.49
▸ HCRTR1 O43613 1/20 0.47
▸ NTRK1 P04629 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ RAF1 P04049 1/20 0.46
▸ HIF1A Q16665 2/20 0.46
▸ RBP4 P02753 1/20 0.45
▸ LMNA P02545 4/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ PIK3CD O00329 1/20 0.43
▸ PIK3CA P42336 1/20 0.43
▸ PIK3CB P42338 1/20 0.43

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
SCHEMBL5559741 0.83 MAPT (0.46) MAPTNPC1KMT2AALDH1A1MEN1
SCHEMBL16106421 0.80 MAPT (0.58) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL3053531 0.79 MAPT (0.66) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL6875469 0.78 SMN1; SMN2 (0.40) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL6878049 0.77 ALDH1A1 (0.41) MAPTKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL4775809 0.76 MAPT (0.54) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL6878390 0.76 MAPT (0.40) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL5038529 0.73 MAPT (0.56) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL3042603 0.72 ALDH1A1 (0.54) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL4774886 0.72 MAPT (0.51) MAPTNPC1RAB9AKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100075959-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ALANINE ALEXANDER 2010-03-25 — — US disclosed
US-20080125419-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ALANINE ALEXANDER 2008-05-29 — — US disclosed
US-20080108809-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ALANINE ALEXANDER 2008-05-08 — — US disclosed
US-7368446-B2 adenosine receptor antagonist; neuroprotectant, antidepressant, anxiolitic, antihypoxic agent; antiischemic and anticonvulsant; Alzheimer's, Parkinson's, Huntington's diseases, schizophrenia, pain, respiration deficits, attention deficit hyper-activity disorder (ADHA), drug addiction HOFFMANN-LA ROCHE INC. (US) 2008-05-06 — — US disclosed
EP-1303272-B1 BENZOTHIAZOLE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND PARKINSON'S DISEASE HOFFMANN LA ROCHE (CH) 2008-02-13 — — EP disclosed
US-7317007-B2 Benzothiazole derivatives with activity as adenosine receptor ligands HOFFMANN-LA ROCHE INC. (US) 2008-01-08 — — US disclosed
EP-1753760-B1 4-HYDROXY-4-METHYL-PIPERIDINE-1-CARBOXYLIC ACID (4-METHOXY-7-MORPHOLIN-4-YL-BENZOTHIAZOL-2-YL)-AMIDE HOFFMANN LA ROCHE (CH) 2008-01-02 — — EP disclosed
EP-1797878-A2 Benzothiazole derivatives F. Hoffmann-La Roche AG (CH) 2007-06-20 — — EP disclosed
EP-1753760-A1 4-HYDROXY-4-METHYL-PIPERIDINE-1-CARBOXYLIC ACID (4-METHOXY-7-MORPHOLIN-4-YL-BENZOTHIAZOL-2-YL)-AMIDE F.HOFFMANN-LA ROCHE AG (CH) 2007-02-21 — — EP disclosed
EP-1583752-B1 CYCLIZATION PROCESS FOR SUBSTITUTED BENZOTHIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-08-16 — — EP disclosed
US-20050026906-A1 Benzothiazole derivatives with actitvity as adenosine receptor ligands ALANINE ALEXANDER (FR) 2005-02-03 — — US disclosed
US-6835732-B2 Modulation of the adenosine A2A receptor; cardioprotective agents; antiischemic agents; antihypoxia agents; central nervous system disorders, Alzheimer's disease, Parkinson's disease, anxiolytic agents; antidepressants; analgesics HOFFMAN-LA ROCHE INC. 2004-12-28 — — US disclosed
WO-2004060879-A2 CYCLIZATION PROCESS FOR SUBSTITUTED BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 — — WO disclosed
US-20040138465-A1 Cyclization process for substituted benzothiazole derivatives HOFFMANN-LA ROCHE INC. 2004-07-15 — — US disclosed
US-20030176695-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ALANINE ALEXANDER (FR) 2003-09-18 — — US disclosed
US-20030125318-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ALANINE ALEXANDER (FR) 2003-07-03 — — US disclosed
EP-1303272-A2 BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 — — EP disclosed
US-6521754-B2 Such as N-4-methoxy-7-morpholin-4-yl-benzothiazol-2-yl)-2-methyl-isoni cotinamide HOFFMAN-LA ROCHE INC. 2003-02-18 — — US disclosed
US-20020045615-A1 Benzothiazole derivatives with activity as adenosine receptor ligands F.HOFFMANN-LA ROCHE AG (CH) 2002-04-18 — — US disclosed
WO-2001097786-A2 BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-12-27 — — 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 (8 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-20080108809-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 MAPT 3145/4885NPC1 1587/4885RAB9A 3119/4885
US-20080125419-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 MAPT 3067/4885NPC1 1559/4885RAB9A 3104/4885
US-20030125318-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 MAPT 3145/4885NPC1 1587/4885RAB9A 3119/4885
US-20030176695-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 MAPT 3145/4885NPC1 1587/4885RAB9A 3119/4885
US-20050026906-A1 Benzothiazole derivatives with actitvity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 MAPT 1647/4885NPC1 2029/4885RAB9A 3351/4885
US-20100075959-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 MAPT 3067/4885NPC1 1559/4885RAB9A 3104/4885
US-20020045615-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 MAPT 3145/4885NPC1 1587/4885RAB9A 3119/4885
US-20040138465-A1 Cyclization process for substituted benzothiazole derivatives CBR3, CBR1, OXTR MAPT 4736/4885NPC1 962/4885RAB9A 2975/4885

“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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