SCHEMBL3044558

SCHEMBL3044558

COc1ccccc1C(=O)Nc1nc2c(OC)ccc(-c3ccccc3)c2s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.62
MAPT P10636 4/20 0.60
RAB9A P51151 7/20 0.59
PKM P14618 1/20 0.59
PAX8 Q06710 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
KDM4E B2RXH2 4/20 0.53
HPGD P15428 4/20 0.53
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
TP53 P04637 2/20 0.52
RXFP1 Q9HBX9 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
ADORA2A P29274 1/20 0.51
ADORA1 P30542 1/20 0.51
NPSR1 Q6W5P4 3/20 0.50

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
SCHEMBL3060420 0.92 NPC1 (0.53) NPC1MAPTRAB9APKMPAX8
SCHEMBL3042846 0.89 CHRM4 (0.60) MAPTKDM4EHPGDALDH1A1KMT2A
SCHEMBL3049879 0.88 DUSP3 (0.61) NPC1MAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL3046847 0.87 DYRK1A (0.60) NPC1MAPTRAB9AKDM4EHPGD
SCHEMBL3052315 0.87 ADORA2B (0.67) NPC1KDM4ESMN1; SMN2KMT2ARXFP1
SCHEMBL3050878 0.86 ALDH1A1 (0.53) MAPTPKMKDM4EHPGDALDH1A1
SCHEMBL3047873 0.85 CHRM4 (0.71) KDM4EHPGDALDH1A1KMT2AMEN1
SCHEMBL3047433 0.85 DUSP3 (0.71) NPC1RAB9AKDM4EHPGDKMT2A
SCHEMBL3046423 0.84 DUSP3 (0.56) ADORA3ADORA2AADORA1LMNADUSP3
SCHEMBL5561389 0.83 NPC1 (0.44) NPC1MAPTRAB9APKMPAX8

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6963000-B2 Benzothiazole derivatives with activity as adenosine receptor ligands HOFFMAN-LA ROCHE INC. (US) 2005-11-08 US claimed
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
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-1797878-A2 Benzothiazole derivatives F. Hoffmann-La Roche AG (CH) 2007-06-20 EP disclosed
US-20060003986-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ALANINE ALEXANDER 2006-01-05 US disclosed
US-6963000-B2 Benzothiazole derivatives with activity as adenosine receptor ligands HOFFMAN-LA ROCHE INC. (US) 2005-11-08 US 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
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
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

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-20060003986-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 NPC1 1587/4885MAPT 3145/4885RAB9A 3119/4885
US-20080108809-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 NPC1 1587/4885MAPT 3145/4885RAB9A 3119/4885
US-20080125419-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 NPC1 1559/4885MAPT 3067/4885RAB9A 3104/4885
US-20030125318-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 NPC1 1587/4885MAPT 3145/4885RAB9A 3119/4885
US-20030176695-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 NPC1 1587/4885MAPT 3145/4885RAB9A 3119/4885
US-20050026906-A1 Benzothiazole derivatives with actitvity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 NPC1 2029/4885MAPT 1647/4885RAB9A 3351/4885
US-20100075959-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 NPC1 1559/4885MAPT 3067/4885RAB9A 3104/4885
US-20020045615-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 NPC1 1587/4885MAPT 3145/4885RAB9A 3119/4885

“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.