SCHEMBL2826040

SCHEMBL2826040

COC(=O)c1cnc(CN2CCOCC2)n1C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
HSD17B10 Q99714 2/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 1/20 0.43
ALOX15 P16050 1/20 0.43
POLB P06746 1/20 0.42
CYP2C19 P33261 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 2/20 0.40
CD274 Q9NZQ7 2/20 0.40
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
CNR2 P34972 1/20 0.40
CYP3A4 P08684 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
SCHEMBL2824616 0.88 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1ALOX15CYP2C19KMT2A
SCHEMBL2824676 0.85 CYP2C19 (0.44) HSD17B10TP53ALDH1A1POLBCYP2C19
SCHEMBL2825357 0.83 CYP2C19 (0.45) HSD17B10TP53SMN1; SMN2MAPK1ALDH1A1
SCHEMBL2827620 0.75 SMN1; SMN2 (0.49) SMN1; SMN2MAPK1ALDH1A1ALOX15L3MBTL1
SCHEMBL10288449 0.75 ALDH1A1 (0.58) SMN1; SMN2MAPK1ALDH1A1ALOX15L3MBTL1
SCHEMBL2825471 0.74 RAB9A (0.50) SMN1; SMN2MAPK1ALDH1A1ALOX15L3MBTL1
SCHEMBL2824661 0.74 SMN1; SMN2 (0.48) SMN1; SMN2MAPK1ALDH1A1ALOX15L3MBTL1
SCHEMBL23930834 0.73 ALOX15 (0.47) SMN1; SMN2ALDH1A1ALOX15L3MBTL1KMT2A
Hydrochloric Acid SCHEMBL2825470 0.73 RAB9A (0.49) SMN1; SMN2MAPK1ALDH1A1ALOX15L3MBTL1
SCHEMBL1859625 0.72 HRH3 (0.60) HCRTR1HCRTR2SMN1; SMN2MAPK1KMT2A

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
CN-1989139-B Benzothiazole derivatives HOFFMANN LA ROCHE 2010-05-12 CN disclosed
EP-1773827-B1 BENZOTHIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-02-17 EP disclosed
EP-1773827-B1 BENZOTHIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-02-17 EP disclosed
US-7371749-B2 Benzothiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-13 US disclosed
US-7371749-B2 Benzothiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-13 US disclosed
US-7371749-B2 Benzothiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-13 US disclosed
CN-1989139-A Benzothiazole derivatives HOFFMANN LA ROCHE (CH) 2007-06-27 CN disclosed
EP-1773827-A1 BENZOTHIAZOLE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-04-18 EP disclosed
US-20060019949-A1 Benzothiazole derivatives HOFFMANN-LA ROCHE INC. 2006-01-26 US disclosed
WO-2006008041-A1 BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-01-26 WO disclosed
WO-2006008041-A1 BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-01-26 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-20060019949-A1 Benzothiazole derivatives CNR2, CNR1, CHRNA2 HCRTR1 89/4885HCRTR2 92/4885HSD17B10 654/4885

“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.