SCHEMBL3049281

SCHEMBL3049281

O=C(Nc1nc2c(F)cc(F)cc2s1)c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.77
▸ GAA P10253 3/20 0.77
▸ RAB9A P51151 9/20 0.72
▸ NPC1 O15118 8/20 0.72
▸ MAPT P10636 5/20 0.72
▸ MEN1 O00255 5/20 0.72
▸ KMT2A Q03164 5/20 0.72
▸ ALDH1A1 P00352 4/20 0.72
▸ SMN1; SMN2 Q16637 2/20 0.72
▸ HTT P42858 2/20 0.72
▸ AGTR1 P30556 1/20 0.72
▸ OPRK1 P41145 1/20 0.72
▸ LRRK2 Q5S007 1/20 0.67
▸ TP53 P04637 2/20 0.65
▸ TDP1 Q9NUW8 2/20 0.65
▸ POLB P06746 1/20 0.60
▸ TNF P01375 1/20 0.57
▸ CRHBP P24387 1/20 0.57
▸ CRHR2 Q13324 1/20 0.57
▸ NOD2 Q9HC29 1/20 0.57

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
SCHEMBL14808362 0.87 RAB9A (0.65) LMNAGAARAB9ANPC1MAPT
SCHEMBL16919783 0.84 RAB9A (1.00) LMNAGAARAB9ANPC1MAPT
SCHEMBL3792415 0.83 RAB9A (0.70) LMNAGAARAB9ANPC1MAPT
SCHEMBL8277824 0.81 NPC1 (0.71) GAARAB9ANPC1MEN1KMT2A
SCHEMBL30370064 0.80 LRRK2 (1.00) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL3044982 0.79 RAB9A (0.68) LMNAGAARAB9ANPC1MAPT
SCHEMBL30369583 0.77 LRRK2 (0.81) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL4921505 0.77 NPC1 (0.62) LMNAGAARAB9ANPC1MAPT
SCHEMBL24071452 0.77 NPC1 (0.63) LMNAGAARAB9ANPC1MAPT
SCHEMBL31218415 0.76 NPC1 (0.60) LMNARAB9ANPC1MAPTMEN1

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
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 LMNA 3923/4885GAA 761/4885RAB9A 3119/4885
US-20080108809-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 LMNA 3923/4885GAA 761/4885RAB9A 3119/4885
US-20080125419-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 LMNA 4033/4885GAA 1000/4885RAB9A 3104/4885
US-20030125318-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 LMNA 3923/4885GAA 761/4885RAB9A 3119/4885
US-20030176695-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 LMNA 3923/4885GAA 761/4885RAB9A 3119/4885
US-20050026906-A1 Benzothiazole derivatives with actitvity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 LMNA 4494/4885GAA 1543/4885RAB9A 3351/4885
US-20100075959-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 LMNA 4033/4885GAA 1000/4885RAB9A 3104/4885
US-20020045615-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 LMNA 3923/4885GAA 761/4885RAB9A 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.

Send feedback