SCHEMBL4574907

SCHEMBL4574907

COc1ccc(C2CCOCC2)cc1NC(=S)NC(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 3/20 0.57
▸ CCR5 P51681 4/20 0.52
▸ ALDH1A1 P00352 6/20 0.50
▸ MAPT P10636 5/20 0.50
▸ LMNA P02545 2/20 0.50
▸ GAA P10253 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ P2RX4 Q99571 1/20 0.49
▸ MIF P14174 1/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ ALOX15 P16050 1/20 0.47

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
SCHEMBL14183098 0.86 ALDH1A1 (0.61) EPHX1ALDH1A1MAPTLMNAGAA
SCHEMBL6874178 0.82 EPHX1 (0.53) EPHX1ALDH1A1MAPTLMNAGAA
SCHEMBL6878386 0.80 EPHX1 (0.51) EPHX1CCR5ALDH1A1MAPTLMNA
SCHEMBL5044211 0.80 HTT (0.44) CCR5ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL3053531 0.80 MAPT (0.66) EPHX1ALDH1A1MAPTLMNAGAA
SCHEMBL4574909 0.79 CCR5 (0.47) CCR5ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL16119683 0.78 EPHX1 (0.81) EPHX1ALDH1A1MAPTGAASMN1; SMN2
SCHEMBL11161985 0.77 EPHX1 (0.70) EPHX1ALDH1A1MAPTLMNAGAA
SCHEMBL5713610 0.75 ALDH1A1 (0.62) EPHX1ALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL6809740 0.75 HDAC1 (0.64) EPHX1ALDH1A1MAPTLMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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-7304058-B2 For therapy of Alzheimer's disease, depression HOFFMANN-LA ROCHE INC. (US) 2007-12-04 — — US disclosed
EP-1456202-B1 BENZOTHIAZOLES HOFFMANN LA ROCHE (CH) 2005-11-09 — — EP disclosed
WO-2005000842-A1 BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMAN-LA ROCHE AG (CH) 2005-01-06 — — WO disclosed
WO-2004103367-A1 BENZOTHIAZOLE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF DISEASES RELATES TO THE ADENOSINE A2A RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2004-12-02 — — WO disclosed
WO-2004103367-A1 BENZOTHIAZOLE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF DISEASES RELATES TO THE ADENOSINE A2A RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2004-12-02 — — WO disclosed
US-20040235915-A1 Benzothiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-11-25 — — US disclosed
US-20040235842-A1 Carbamic acid esters of benzothiazoles F. HOFFMANN-LA ROCHE AG (CH) 2004-11-25 — — 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 (4 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 EPHX1 1538/4885CCR5 1729/4885ALDH1A1 114/4885
US-20040235842-A1 Carbamic acid esters of benzothiazoles ADORA2A, ADORA1, ADORA2B EPHX1 1521/4885CCR5 533/4885ALDH1A1 306/4885
US-20080108826-A1 PREPARATION OF 4-ALKOXY-7-(TETRAHYDRO-PYRAN-4-YL)-BENZOTHIAZOL-2-YLAMINE DERIVATIVES HTR7, HTR4, BRD7 EPHX1 3419/4885CCR5 3810/4885ALDH1A1 869/4885
US-20030144288-A1 Benzothiazoles ADORA2A, ADORA1, ADORA2B EPHX1 1503/4885CCR5 1226/4885ALDH1A1 89/4885

“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.

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