SCHEMBL3048034

SCHEMBL3048034

COc1ccc(-c2ccccc2)c2sc(NC(=O)Cc3ccccc3)nc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.56
MEN1 O00255 5/20 0.56
MAPT P10636 3/20 0.56
KDM4E B2RXH2 3/20 0.56
HPGD P15428 3/20 0.56
NPSR1 Q6W5P4 2/20 0.56
LMNA P02545 2/20 0.56
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.54
TSHR P16473 1/20 0.54
HSD17B10 Q99714 1/20 0.54
PI4KB Q9UBF8 3/20 0.50
RORC P51449 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
BLM P54132 1/20 0.50
GAA P10253 1/20 0.50
APP P05067 1/20 0.49
NFKB1 P19838 1/20 0.49
CSNK1D P48730 1/20 0.49

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
SCHEMBL3047735 0.86 HPGD (0.50) KMT2AMEN1MAPTKDM4EHPGD
SCHEMBL3046847 0.85 DYRK1A (0.60) KMT2AMEN1MAPTKDM4EHPGD
SCHEMBL3055054 0.85 SMN1; SMN2 (0.50) KMT2AMEN1MAPTKDM4EHPGD
SCHEMBL3049517 0.84 ABL1 (0.48) KMT2AMEN1MAPTKDM4EHPGD
SCHEMBL3050878 0.84 ALDH1A1 (0.53) KMT2AMEN1MAPTKDM4EHPGD
SCHEMBL3042846 0.83 CHRM4 (0.60) KMT2AMEN1MAPTKDM4EHPGD
SCHEMBL3053374 0.82 ABL1 (0.58) KMT2AMEN1MAPTKDM4EHPGD
SCHEMBL3057835 0.82 KMT2A (0.50) KMT2AMEN1MAPTKDM4EHPGD
SCHEMBL3044558 0.82 NPC1 (0.62) KMT2AMEN1MAPTKDM4EHPGD
SCHEMBL3046423 0.82 DUSP3 (0.56) LMNAADORA2AADORA1

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 16 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
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
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-20060003986-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 KMT2A 3263/4885MEN1 4497/4885MAPT 3145/4885
US-20080108809-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 KMT2A 3263/4885MEN1 4497/4885MAPT 3145/4885
US-20080125419-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 KMT2A 3309/4885MEN1 4586/4885MAPT 3067/4885
US-20030125318-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 KMT2A 3263/4885MEN1 4497/4885MAPT 3145/4885
US-20030176695-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 KMT2A 3263/4885MEN1 4497/4885MAPT 3145/4885
US-20050026906-A1 Benzothiazole derivatives with actitvity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 KMT2A 3225/4885MEN1 4233/4885MAPT 1647/4885
US-20100075959-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 KMT2A 3309/4885MEN1 4586/4885MAPT 3067/4885
US-20020045615-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 KMT2A 3263/4885MEN1 4497/4885MAPT 3145/4885

“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.