SCHEMBL6874566

SCHEMBL6874566

COc1ccc(N(C)C2CCOCC2)cc1NC(N)=S

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ ALDH1A1 P00352 5/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ THRB P10828 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ PDE4D Q08499 2/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ MALT1 Q9UDY8 1/20 0.36

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
SCHEMBL6875789 0.83 HTT (0.39) HTTPOLBALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL6874178 0.82 EPHX1 (0.53) HTTPOLBALDH1A1SMN1; SMN2LMNA
SCHEMBL5044211 0.78 HTT (0.44) HTTPOLBALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL6880340 0.77 ALDH1A1 (0.40) HTTALDH1A1L3MBTL1LMNATHRB
SCHEMBL6875469 0.75 SMN1; SMN2 (0.40) HTTALDH1A1SMN1; SMN2LMNATHRB
SCHEMBL6874571 0.74 PDE4D (0.37) HTTALDH1A1SMN1; SMN2KDM4EPDE4D
SCHEMBL3042603 0.71 ALDH1A1 (0.54) HTTPOLBALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL5713569 0.71 KMT2A (0.37) POLBALDH1A1SMN1; SMN2LMNATDP1
SCHEMBL6876218 0.71 KMT2A (0.46) HTTPOLBALDH1A1SMN1; SMN2LMNA
SCHEMBL17085567 0.70 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2GAAMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1456188-A1 7-AMINO-BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2004-09-15 — — EP 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 (1 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 HTT 2541/4885POLB 3899/4885ALDH1A1 308/4885

“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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