SCHEMBL3053522

SCHEMBL3053522

Fc1ccc(NCC2CCNCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.47
KDM1A O60341 5/20 0.43
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
SLC6A4 P31645 1/20 0.41
BRD3 Q15059 2/20 0.40
KHK P50053 1/20 0.40
CHEK1 O14757 1/20 0.40
MAOB P27338 3/20 0.40
MAOA P21397 2/20 0.40
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39

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
SCHEMBL1413601 0.90 BRD3 (0.43) SCN9AKDM1ABRD3CHEK1MAOB
SCHEMBL25330831 0.87 JAK2 (0.45) JAK2JAK1TYK2JAK3
SCHEMBL5605238 0.82 PRMT5 (0.45) KDM1APRMT5WDR77
SCHEMBL22414312 0.81 RAB9A (0.44) JAK2JAK1TYK2JAK3
SCHEMBL3628527 0.81 GBA1 (0.53) KDM1AKHKMAOBMAOA
SCHEMBL1565671 0.81 RAB9A (0.44) JAK2JAK1TYK2JAK3
SCHEMBL21605922 0.80 KDM1A (0.44) KDM1ACHEK1
SCHEMBL21605932 0.80 KDM1A (0.44) KDM1ACHEK1
Hydrochloric Acid SCHEMBL28223443 0.80 GBA1 (0.52) KDM1AKHKMAOBMAOA
Methane SCHEMBL3590620 0.80 GBA1 (0.52) KDM1AKHKMAOBMAOA

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-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
CN-1234358-C Benzothiazole derivatives HOFFMANN LA ROCHE (CH) 2006-01-04 CN 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
CN-1437471-A Benzothiazole derivatives HOFFMANN LA ROCHE (CH) 2003-08-20 CN 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 SCN9A 3186/4885KDM1A 4460/4885JAK2 908/4885
US-20080108809-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 SCN9A 3186/4885KDM1A 4460/4885JAK2 908/4885
US-20080125419-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 SCN9A 3273/4885KDM1A 4461/4885JAK2 848/4885
US-20030125318-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 SCN9A 3186/4885KDM1A 4460/4885JAK2 908/4885
US-20030176695-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 SCN9A 3186/4885KDM1A 4460/4885JAK2 908/4885
US-20050026906-A1 Benzothiazole derivatives with actitvity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 SCN9A 2275/4885KDM1A 4498/4885JAK2 1115/4885
US-20100075959-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 SCN9A 3273/4885KDM1A 4461/4885JAK2 848/4885
US-20020045615-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 SCN9A 3186/4885KDM1A 4460/4885JAK2 908/4885

“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.