SCHEMBL5713585

SCHEMBL5713585

COCCN(C)c1ccc(OC)c(NC(=O)N(S)C(=O)c2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 4/20 0.42
▸ HDAC6 Q9UBN7 4/20 0.42
▸ HDAC8 Q9BY41 3/20 0.42
▸ MAPT P10636 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ AHR P35869 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MCHR1 Q99705 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ GAA P10253 1/20 0.38

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
SCHEMBL5713582 0.80 EPHX1 (0.55) HDAC1HDAC6HDAC8MAPTSMN1; SMN2
SCHEMBL6878390 0.80 MAPT (0.40) HDAC1HDAC6HDAC8MAPTMAPK1
SCHEMBL5713604 0.78 TSHR (0.44) MAPTSMN1; SMN2MEN1KMT2APOLB
SCHEMBL6875469 0.77 SMN1; SMN2 (0.40) HDAC1HDAC6HDAC8MAPTMAPK1
SCHEMBL5713569 0.73 KMT2A (0.37) MAPTSMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL3053533 0.71 MAPT (0.52) MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4574909 0.71 CCR5 (0.47) HDAC1HDAC6HDAC8MAPTMAPK1
SCHEMBL5713571 0.70 HCRTR2 (0.36) MAPTSMN1; SMN2HTTGAA
SCHEMBL5004759 0.67 PPARA (0.48) MAPTKMT2A
SCHEMBL11672015 0.67 HDAC1 (0.55) HDAC1HDAC6HDAC8MAPTMAPK1

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 HDAC1 3191/4885HDAC6 3443/4885HDAC8 3535/4885
US-20040138465-A1 Cyclization process for substituted benzothiazole derivatives CBR3, CBR1, OXTR HDAC1 1750/4885HDAC6 2334/4885HDAC8 2905/4885

“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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