SCHEMBL6878390

SCHEMBL6878390

COc1ccc(N(C)CC2CCOCC2)cc1NC(=O)N(S)C(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ CCR5 P51681 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ CSF1R P07333 2/20 0.37
▸ LMNA P02545 4/20 0.37
▸ GAA P10253 1/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ THRB P10828 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ PDE4D Q08499 3/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ AHR P35869 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
SCHEMBL6875469 0.86 SMN1; SMN2 (0.40) MAPTSMN1; SMN2ALOX15CCR5HTT
SCHEMBL6878386 0.82 EPHX1 (0.51) MAPTSMN1; SMN2ALOX15CCR5LMNA
SCHEMBL4574909 0.81 CCR5 (0.47) MAPTSMN1; SMN2ALOX15CCR5HTT
SCHEMBL5713585 0.80 HDAC1 (0.42) MAPTSMN1; SMN2HTTGAAMEN1
SCHEMBL6875789 0.77 HTT (0.39) SMN1; SMN2HTTCSF1RLMNATHRB
SCHEMBL3053533 0.76 MAPT (0.52) MAPTSMN1; SMN2ALOX15LMNANPC1
SCHEMBL6875792 0.74 CSF1R (0.38) HTTCSF1RNPC1RAB9AMEN1
SCHEMBL5713604 0.73 TSHR (0.44) MAPTSMN1; SMN2CCR5HTTGAA
SCHEMBL5559741 0.70 MAPT (0.46) MAPTSMN1; SMN2ALOX15LMNANPC1
SCHEMBL6870169 0.69 CSF1R (0.41) MAPTCSF1RGAATHRBALDH1A1

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 MAPT 3982/4885SMN1; SMN2 3507/4885ALOX15 2282/4885

“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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