SCHEMBL3049517

SCHEMBL3049517

COc1ccc(-c2ccccc2)c2sc(NC(=O)NCCc3ccccc3)nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.48
HPGD P15428 5/20 0.48
MAPT P10636 5/20 0.48
LMNA P02545 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ROCK2 O75116 1/20 0.47
ROCK1 Q13464 1/20 0.47
MMP3 P08254 1/20 0.47
ALDH1A1 P00352 5/20 0.47
HSD17B10 Q99714 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
CHRM4 P08173 1/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
THRB P10828 1/20 0.46
RAB9A P51151 1/20 0.46
TSHR P16473 2/20 0.46

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
SCHEMBL3057835 0.94 KMT2A (0.50) ABL1HPGDMAPTLMNAKDM4E
SCHEMBL3053374 0.90 ABL1 (0.58) ABL1HPGDMAPTLMNAKDM4E
SCHEMBL3047735 0.89 HPGD (0.50) ABL1HPGDMAPTLMNAKDM4E
SCHEMBL3051558 0.87 NPC1 (0.46) ABL1HPGDMAPTLMNAKDM4E
SCHEMBL3047032 0.87 ABL1 (0.49) ABL1HPGDMAPTLMNAKDM4E
Hydrochloric Acid SCHEMBL7151906 0.84 ABL1 (0.43) ABL1HPGDMAPTLMNAKDM4E
SCHEMBL3048034 0.84 KMT2A (0.56) HPGDMAPTLMNAKDM4EMEN1
SCHEMBL3047416 0.84 GSK3B (0.56) HPGDMAPTLMNAKDM4EMEN1
SCHEMBL3053270 0.84 ROCK2 (0.51) HPGDMAPTLMNAKDM4EMEN1
SCHEMBL3057825 0.83 L3MBTL1 (0.56) HPGDKDM4EKMT2ANPSR1ROCK2

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-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 ABL1 1744/4885HPGD 2398/4885MAPT 3145/4885
US-20080108809-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 ABL1 1744/4885HPGD 2398/4885MAPT 3145/4885
US-20080125419-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 ABL1 1782/4885HPGD 2488/4885MAPT 3067/4885
US-20030125318-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 ABL1 1744/4885HPGD 2398/4885MAPT 3145/4885
US-20030176695-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 ABL1 1744/4885HPGD 2398/4885MAPT 3145/4885
US-20050026906-A1 Benzothiazole derivatives with actitvity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 ABL1 727/4885HPGD 2538/4885MAPT 1647/4885
US-20100075959-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 ABL1 1782/4885HPGD 2488/4885MAPT 3067/4885
US-20020045615-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 ABL1 1744/4885HPGD 2398/4885MAPT 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.