SCHEMBL4766178

SCHEMBL4766178

COc1ccc(C2CCOCC2)cc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 3/20 0.50
TUBB P07437 3/20 0.50
TUBA3C P0DPH7 3/20 0.50
TUBA1B P68363 3/20 0.50
TUBA4A P68366 3/20 0.50
TUBB4B P68371 3/20 0.50
TUBB3 Q13509 3/20 0.50
TUBB2A Q13885 3/20 0.50
TUBB8 Q3ZCM7 3/20 0.50
TUBA3E Q6PEY2 3/20 0.50
TUBA1A Q71U36 3/20 0.50
TUBA1C Q9BQE3 3/20 0.50
TUBB6 Q9BUF5 3/20 0.50
TUBB2B Q9BVA1 3/20 0.50
TUBB1 Q9H4B7 3/20 0.50
ALDH1A1 P00352 4/20 0.44
CYP3A4 P08684 1/20 0.44
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL3314819 0.87 ALDH1A1 (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1264565 0.83 TUBB4A (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4574250 0.81 HTT (0.48) ALDH1A1MEN1MAPTKMT2AIL2
SCHEMBL31063362 0.81 KDM1A (0.54) TUBB1ALDH1A1MEN1MAPTKMT2A
SCHEMBL4574438 0.81 IL2 (0.45) ALDH1A1F2PLGPLAUPLAT
SCHEMBL13362064 0.81 HTR2C (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL520088 0.79 QDPR (0.64) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15157184 0.79 HTR1D (0.38) MEN1KMT2ATDP1
SCHEMBL30432645 0.79 HTR1D (0.38) MEN1KMT2ATDP1
SCHEMBL12856197 0.79 QDPR (0.44) ALDH1A1IL2MAP4K1NR3C1QDPR

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636217-B1 2-IMIDAZO-BENZOTHIAZOLES AS ADENOSINE RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2008-09-03 EP disclosed
US-7371748-B2 Benzothiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2008-05-13 US disclosed
US-7371748-B2 Benzothiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2008-05-13 US disclosed
US-7371748-B2 Benzothiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2008-05-13 US disclosed
WO-2008052930-A2 PREPARATION OF 4-ALK0XY-7- (TETRAHYDROPYRAN-4-YL) BENZOTHIAZOL-2-AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-08 WO disclosed
US-20080108826-A1 PREPARATION OF 4-ALKOXY-7-(TETRAHYDRO-PYRAN-4-YL)-BENZOTHIAZOL-2-YLAMINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-05-08 US disclosed
US-20080108826-A1 PREPARATION OF 4-ALKOXY-7-(TETRAHYDRO-PYRAN-4-YL)-BENZOTHIAZOL-2-YLAMINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-05-08 US disclosed
EP-1636223-B1 BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2008-03-19 EP disclosed
US-7304058-B2 For therapy of Alzheimer's disease, depression HOFFMANN-LA ROCHE INC. (US) 2007-12-04 US disclosed
US-7304058-B2 For therapy of Alzheimer's disease, depression HOFFMANN-LA ROCHE INC. (US) 2007-12-04 US disclosed
US-20040235915-A1 Benzothiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-11-25 US disclosed
US-20040235915-A1 Benzothiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-11-25 US disclosed
US-20040235915-A1 Benzothiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-11-25 US disclosed
WO-2004101558-A1 2-IMIDAZO-BENZOTHIAZOLES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-25 WO disclosed
US-20040235842-A1 Carbamic acid esters of benzothiazoles F. HOFFMANN-LA ROCHE AG (CH) 2004-11-25 US disclosed
US-20040229862-A1 Imidazo-benzothiazoles F. HOFFMAN-LA ROCHE AG (CH) 2004-11-18 US disclosed
EP-1456202-A1 BENZOTHIAZOLES F. Hoffman-la Roche AG (CH) 2004-09-15 EP disclosed
US-6734179-B2 SULFUR COMPOUNDS SUCH AS 4-FLUORO-N-(4-METHOXY-7-(TETRAHYDRO-PYRAN-4-YL)-BENZOTHIAZOL-2-YL) -BENZAMIDE, USED AS PREFERENTIAL ADENOSINE RECEPTOR LIGANDS FOR THE PROPHYLAXIS OF NEURODEGENERATIVE DISORDERS HOFFMANN-LA ROCHE INC. 2004-05-11 US disclosed
US-20030144288-A1 Benzothiazoles F. HOFFMAN-LA ROCHE AG A SWISS COMPANY (CH) 2003-07-31 US disclosed
WO-2003053961-A1 BENZOTHIAZOLES F. HOFFMAN-LA ROCHE AG (CH) 2003-07-03 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 (5 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-20040235915-A1 Benzothiazole derivatives ADORA1, ADORA2A, ADORA3 TUBB4A 2629/4885TUBB 2572/4885TUBA3C 3436/4885
US-20040235842-A1 Carbamic acid esters of benzothiazoles ADORA2A, ADORA1, ADORA2B TUBB4A 2541/4885TUBB 3373/4885TUBA3C 3249/4885
US-20080108826-A1 PREPARATION OF 4-ALKOXY-7-(TETRAHYDRO-PYRAN-4-YL)-BENZOTHIAZOL-2-YLAMINE DERIVATIVES HTR7, HTR4, BRD7 TUBB4A 342/4885TUBB 860/4885TUBA3C 993/4885
US-20030144288-A1 Benzothiazoles ADORA2A, ADORA1, ADORA2B TUBB4A 2069/4885TUBB 2462/4885TUBA3C 2788/4885
US-20040229862-A1 Imidazo-benzothiazoles ADORA1, ADORA3, ADORA2A TUBB4A 3447/4885TUBB 4111/4885TUBA3C 3762/4885

“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.