SCHEMBL3053652

SCHEMBL3053652

COC(=O)Nc1nc2c(OC)ccc(I)c2s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
HPGD P15428 4/20 0.59
KDM4E B2RXH2 3/20 0.59
MAPT P10636 4/20 0.58
TSHR P16473 2/20 0.58
HSD17B10 Q99714 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 2/20 0.54
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
POLB P06746 1/20 0.53
CHRM4 P08173 5/20 0.51
DUSP3 P51452 1/20 0.51
PKM P14618 1/20 0.49
ATM Q13315 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
DYRK1A Q13627 1/20 0.48
ADORA2A P29274 1/20 0.47
ADORA2B P29275 1/20 0.47
ADORA1 P30542 1/20 0.47

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
SCHEMBL5561827 0.89 HPGD (0.58) ALDH1A1HPGDKDM4EMAPTTSHR
SCHEMBL3050636 0.85 ALDH1A1 (0.58) ALDH1A1HPGDKDM4EMAPTTSHR
SCHEMBL12957371 0.84 MAPT (0.60) ALDH1A1HPGDKDM4EMAPTTSHR
SCHEMBL1040609 0.84 SMN1; SMN2 (0.51) ALDH1A1HPGDKDM4EMAPTTSHR
SCHEMBL6868209 0.83 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EMAPTTSHR
SCHEMBL31256928 0.83 CHRM4 (0.61) ALDH1A1HPGDKDM4EMAPTTSHR
SCHEMBL7147592 0.81 KMT2A (0.64) ALDH1A1HPGDKDM4EMAPTTSHR
SCHEMBL3053396 0.81 ALDH1A1 (0.54) ALDH1A1HPGDKDM4EMAPTTSHR
SCHEMBL3057561 0.80 ALDH1A1 (0.55) ALDH1A1HPGDKDM4EMAPTTSHR
SCHEMBL3057462 0.80 ALDH1A1 (0.62) ALDH1A1HPGDKDM4EMAPTTSHR

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 25 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
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-1615919-B1 7-([1,4]DIOXAN-2-YL)-BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2007-08-22 EP disclosed
EP-1797878-A2 Benzothiazole derivatives F. Hoffmann-La Roche AG (CH) 2007-06-20 EP disclosed
EP-1615919-A1 7-([1,4]DIOXAN-2-YL)-BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2006-01-18 EP disclosed
US-20060003986-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ALANINE ALEXANDER 2006-01-05 US disclosed
EP-1456202-B1 BENZOTHIAZOLES HOFFMANN LA ROCHE (CH) 2005-11-09 EP disclosed
US-20040204584-A1 ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-14 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-20030176695-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ALANINE ALEXANDER (FR) 2003-09-18 US disclosed
US-20030144288-A1 Benzothiazoles F. HOFFMAN-LA ROCHE AG A SWISS COMPANY (CH) 2003-07-31 US disclosed
US-20030125318-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ALANINE ALEXANDER (FR) 2003-07-03 US disclosed
WO-2003053961-A1 BENZOTHIAZOLES F. HOFFMAN-LA ROCHE AG (CH) 2003-07-03 WO disclosed
EP-1303272-A2 BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP 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 (9 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 ALDH1A1 383/4885HPGD 2398/4885KDM4E 3849/4885
US-20080108809-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 ALDH1A1 383/4885HPGD 2398/4885KDM4E 3849/4885
US-20080125419-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 ALDH1A1 473/4885HPGD 2488/4885KDM4E 3863/4885
US-20030125318-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 ALDH1A1 383/4885HPGD 2398/4885KDM4E 3849/4885
US-20030176695-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 ALDH1A1 383/4885HPGD 2398/4885KDM4E 3849/4885
US-20040204584-A1 ADENOSINE RECEPTOR LIGANDS ADORA1, ADORA2A, ADORA3 ALDH1A1 620/4885HPGD 2639/4885KDM4E 4368/4885
US-20100075959-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 ALDH1A1 473/4885HPGD 2488/4885KDM4E 3863/4885
US-20030144288-A1 Benzothiazoles ADORA2A, ADORA1, ADORA2B ALDH1A1 89/4885HPGD 2238/4885KDM4E 3008/4885
US-20020045615-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 ALDH1A1 383/4885HPGD 2398/4885KDM4E 3849/4885

“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.