SCHEMBL3046997

SCHEMBL3046997

Cc1cccc2sc(NC(=O)c3cccnc3Cl)nc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.72
KMT2A Q03164 8/20 0.72
LMNA P02545 3/20 0.72
ALDH1A1 P00352 5/20 0.63
KDM4E B2RXH2 3/20 0.63
HPGD P15428 3/20 0.63
POLB P06746 2/20 0.60
MAPT P10636 4/20 0.57
ALOX15 P16050 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
USP2 O75604 1/20 0.57
MCL1 Q07820 1/20 0.57
ESR2 Q92731 1/20 0.57
HSD17B10 Q99714 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
NPC1 O15118 2/20 0.54
SMN1; SMN2 Q16637 4/20 0.51
MAPK1 P28482 1/20 0.51
ACHE P22303 1/20 0.49
P2RX7 Q99572 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
SCHEMBL2754060 0.84 KMT2A (0.67) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL2753869 0.84 KMT2A (0.70) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL26884128 0.83 KMT2A (0.65) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL4918104 0.81 ALDH1A1 (0.68) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL21186002 0.80 KMT2A (0.64) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL19566129 0.78 KMT2A (0.62) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL19627232 0.78 KMT2A (0.62) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL21821838 0.77 MAPT (0.76) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL5713545 0.76 MAPT (0.67) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL19566127 0.76 KDM4E (0.60) MEN1KMT2ALMNAALDH1A1KDM4E

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 14 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-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 MEN1 4497/4885KMT2A 3263/4885LMNA 3923/4885
US-20080108809-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 MEN1 4497/4885KMT2A 3263/4885LMNA 3923/4885
US-20080125419-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 MEN1 4586/4885KMT2A 3309/4885LMNA 4033/4885
US-20030125318-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 MEN1 4497/4885KMT2A 3263/4885LMNA 3923/4885
US-20030176695-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 MEN1 4497/4885KMT2A 3263/4885LMNA 3923/4885
US-20050026906-A1 Benzothiazole derivatives with actitvity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 MEN1 4233/4885KMT2A 3225/4885LMNA 4494/4885
US-20100075959-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 MEN1 4586/4885KMT2A 3309/4885LMNA 4033/4885
US-20020045615-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 MEN1 4497/4885KMT2A 3263/4885LMNA 3923/4885

“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.