SCHEMBL5713571

SCHEMBL5713571

COCCN(C)c1ccc(OC)c(N(S)C(N)=O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 2/20 0.36
▸ HCRTR1 O43613 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HPGD P15428 3/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ MTNR1A P48039 1/20 0.33
▸ MTNR1B P49286 1/20 0.33
▸ ADK P55263 1/20 0.33
▸ AOC3 Q16853 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33

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
SCHEMBL6875792 0.76 CSF1R (0.38) HTTRAB9A
SCHEMBL6114258 0.74 HPGD (0.51) MAPTHPGDALDH1A1
SCHEMBL6875492 0.74 GAA (0.46) MAPTADKAOC3ALDH1A1GAA
SCHEMBL6114278 0.73 HPGD (0.45) HCRTR2HPGDDRD2DRD3HRH3
SCHEMBL3039158 0.73 SLC9A1 (0.41) MAPTSMN1; SMN2HPGDALDH1A1KDM4E
SCHEMBL14053273 0.73 CYP1A2 (0.42) MAPTSMN1; SMN2KDM4EHTTRAB9A
SCHEMBL4923833 0.73 HTT (0.49) MAPTALDH1A1KDM4EHTTRAB9A
SCHEMBL5039044 0.72 CYP1A2 (0.47) MAPTSMN1; SMN2HPGDALDH1A1KDM4E
SCHEMBL6874571 0.71 PDE4D (0.37) SMN1; SMN2ALDH1A1KDM4EHTTRAB9A
SCHEMBL30682408 0.71 ALDH1A1 (0.47) MAPTADKAOC3ALDH1A1HSD17B10

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583752-B1 CYCLIZATION PROCESS FOR SUBSTITUTED BENZOTHIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-08-16 — — EP disclosed
US-7087761-B2 Cyclization process for substituted benzothiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2006-08-08 — — US disclosed
EP-1583752-A2 CYCLIZATION PROCESS FOR SUBSTITUTED BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 — — EP disclosed
EP-1456188-A1 7-AMINO-BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2004-09-15 — — EP disclosed
WO-2004060879-A2 CYCLIZATION PROCESS FOR SUBSTITUTED BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 — — WO disclosed
US-20040138465-A1 Cyclization process for substituted benzothiazole derivatives HOFFMANN-LA ROCHE INC. 2004-07-15 — — US disclosed
US-6713499-B2 ADENOSINE RECEPTOR AGONIST HOFFMAN-LA ROCHE INC. 2004-03-30 — — US disclosed
US-20030153566-A1 7-Amino-benzothiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 — — US disclosed
WO-2003053946-A1 7-AMINO-BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-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 (2 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-20030153566-A1 7-Amino-benzothiazole derivatives ADORA1, ADORA2A, ADORA3 HCRTR2 198/4885HCRTR1 265/4885MAPT 3982/4885
US-20040138465-A1 Cyclization process for substituted benzothiazole derivatives CBR3, CBR1, OXTR HCRTR2 28/4885HCRTR1 20/4885MAPT 4736/4885

“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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