SCHEMBL4768685

SCHEMBL4768685

COC(=O)c1ncoc1Cc1cccs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
BLM P54132 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
LTA4H P09960 2/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ABL1 P00519 1/20 0.41
SRC P12931 1/20 0.41
TSHR P16473 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALOX15 P16050 1/20 0.40
POLB P06746 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
DNMT1 P26358 1/20 0.39

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
SCHEMBL11317135 0.79 PTGIR (0.48) SMN1; SMN2
SCHEMBL27716342 0.76 L3MBTL1 (0.38) MEN1KMT2AL3MBTL1LTA4HALDH1A1
SCHEMBL11075687 0.75 ERCC1 (0.48) MEN1KMT2AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL9684703 0.74 PTGIR (0.43)
SCHEMBL27716343 0.72 CYP2C19 (0.41) MEN1KMT2AL3MBTL1LTA4HALDH1A1
SCHEMBL6656904 0.72 MMP2 (0.52) MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL7496572 0.71 KDM5A (0.43) ALDH1A1TSHRKDM4EALOX15GAA
SCHEMBL11001539 0.70 FBP1 (0.39) MEN1KMT2AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL7006107 0.70 NPSR1 (0.37) L3MBTL1KDM4ENPSR1GAANPC1
Bromide SCHEMBL7432518 0.70 NPSR1 (0.37) L3MBTL1SMN1; SMN2NPSR1GAA

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 5 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
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

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 MAPK10 3660/4885MEN1 3670/4885KMT2A 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.