SCHEMBL3053531

SCHEMBL3053531

COc1ccc(N2CCOCC2)cc1NC(=S)NC(=O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 13/20 0.66
▸ ALDH1A1 P00352 12/20 0.66
▸ SMN1; SMN2 Q16637 3/20 0.66
▸ EPHX1 P07099 2/20 0.66
▸ NPC1 O15118 2/20 0.66
▸ RAB9A P51151 2/20 0.66
▸ KMT2A Q03164 4/20 0.62
▸ MEN1 O00255 3/20 0.62
▸ GAA P10253 1/20 0.62
▸ LMNA P02545 4/20 0.62
▸ GPR55 Q9Y2T6 1/20 0.57
▸ ALOX12 P18054 1/20 0.57
▸ TDP1 Q9NUW8 3/20 0.55
▸ HTT P42858 1/20 0.54
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ MAPK1 P28482 1/20 0.53

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
SCHEMBL11154017 0.89 MAPT (0.65) MAPTALDH1A1SMN1; SMN2EPHX1NPC1
SCHEMBL5559730 0.83 GAA (0.59) MAPTALDH1A1SMN1; SMN2EPHX1NPC1
SCHEMBL4775809 0.82 MAPT (0.54) MAPTALDH1A1SMN1; SMN2EPHX1NPC1
SCHEMBL16106421 0.81 MAPT (0.58) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL5448142 0.80 MAPT (1.00) MAPTALDH1A1SMN1; SMN2EPHX1NPC1
SCHEMBL3042603 0.80 ALDH1A1 (0.54) MAPTALDH1A1SMN1; SMN2EPHX1NPC1
SCHEMBL4574907 0.80 EPHX1 (0.57) MAPTALDH1A1SMN1; SMN2EPHX1KMT2A
SCHEMBL11163790 0.79 ALDH1A1 (0.57) MAPTALDH1A1SMN1; SMN2EPHX1NPC1
SCHEMBL3053533 0.79 MAPT (0.52) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL5038529 0.78 MAPT (0.56) MAPTALDH1A1SMN1; SMN2NPC1RAB9A

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 31 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
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
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-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
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
WO-2003045386-A1 BENZOTHIAZOLE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2003-06-05 — — WO 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 (7 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 3145/4885ALDH1A1 383/4885SMN1; SMN2 3173/4885
US-20080125419-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 MAPT 3067/4885ALDH1A1 473/4885SMN1; SMN2 3476/4885
US-20030125318-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 MAPT 3145/4885ALDH1A1 383/4885SMN1; SMN2 3173/4885
US-20030176695-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 MAPT 3145/4885ALDH1A1 383/4885SMN1; SMN2 3173/4885
US-20100075959-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 MAPT 3067/4885ALDH1A1 473/4885SMN1; SMN2 3476/4885
US-20020045615-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 MAPT 3145/4885ALDH1A1 383/4885SMN1; SMN2 3173/4885
US-20040138465-A1 Cyclization process for substituted benzothiazole derivatives CBR3, CBR1, OXTR MAPT 4736/4885ALDH1A1 2709/4885SMN1; SMN2 3359/4885

“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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