SCHEMBL4775809

SCHEMBL4775809

COc1ccc(N2CCOCC2)cc1NC(=S)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.54
▸ ALDH1A1 P00352 6/20 0.54
▸ KMT2A Q03164 5/20 0.54
▸ MEN1 O00255 4/20 0.54
▸ NPC1 O15118 3/20 0.54
▸ PKM P14618 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ HTT P42858 2/20 0.49
▸ POLB P06746 2/20 0.49
▸ HCRTR1 O43613 1/20 0.48
▸ HIF1A Q16665 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ RBP4 P02753 1/20 0.47
▸ LMNA P02545 3/20 0.46
▸ EPHX1 P07099 1/20 0.45

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
SCHEMBL5038529 0.89 MAPT (0.56) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL16106421 0.88 MAPT (0.58) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL3042603 0.84 ALDH1A1 (0.54) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL5036825 0.84 MAPT (0.58) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL3053531 0.82 MAPT (0.66) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL4774886 0.78 MAPT (0.51) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL27403161 0.78 LRRK2 (0.52) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL20598315 0.77 NPC1 (0.65) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL30501370 0.77 NPC1 (0.65) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL3053533 0.76 MAPT (0.52) MAPTALDH1A1KMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636217-B1 2-IMIDAZO-BENZOTHIAZOLES AS ADENOSINE RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2008-09-03 — — EP disclosed
EP-1450796-B1 BENZOTHIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-04-09 — — EP disclosed
EP-1450796-B1 BENZOTHIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-04-09 — — EP disclosed
US-7122545-B2 Imidazo-benzothiazoles HOFFMANN-LA ROCHE INC. (US) 2006-10-17 — — US disclosed
EP-1636217-A1 2-IMIDAZO-BENZOTHIAZOLES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-22 — — EP disclosed
WO-2004101558-A1 2-IMIDAZO-BENZOTHIAZOLES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-25 — — WO disclosed
US-20040229862-A1 Imidazo-benzothiazoles F. HOFFMAN-LA ROCHE AG (CH) 2004-11-18 — — US disclosed
EP-1450796-A1 BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-09-01 — — EP disclosed
US-6596718-B1 A compound of formula I has a good affinity to the A2A receptor and is useful for the treatment of diseases mediated by this receptor. HOFFMANN-LA ROCHE INC. 2003-07-22 — — US disclosed
WO-2003045385-A1 BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-06-05 — — WO disclosed
WO-2003045385-A1 BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-06-05 — — 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-20040229862-A1 Imidazo-benzothiazoles ADORA1, ADORA3, ADORA2A MAPT 4291/4885ALDH1A1 411/4885KMT2A 3348/4885

“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.

Send feedback