SCHEMBL1121669

SCHEMBL1121669

CC(C)(C)OC(=O)N1CCC(Nc2nc3c(O)cccc3o2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MMP13 P45452 1/20 0.47
PARP1 P09874 5/20 0.45
IDH1 O75874 1/20 0.45
IDH2 P48735 1/20 0.45
ADORA2A P29274 1/20 0.44
GPR119 Q8TDV5 2/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
CCNA2 P20248 2/20 0.43
CDK2 P24941 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
CDK5 Q00535 1/20 0.42

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
SCHEMBL1121448 0.89 ALDH1A1 (0.48) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL1121489 0.88 PARP1 (0.48) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL1121524 0.87 ALDH1A1 (0.49) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL1121329 0.86 ALDH1A1 (0.46) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL1121594 0.84 ALDH1A1 (0.49) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL1121386 0.82 PRMT5 (0.51) MAPTMAPK1L3MBTL1MMP13GPR119
SCHEMBL1121305 0.82 PARP1 (0.46) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL1121302 0.82 PARP1 (0.46) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL1121754 0.82 PARP1 (0.44) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL1121750 0.82 PARP1 (0.47) ALDH1A1NPC1MAPTMAPK1HTT

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-1924579-B1 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-02-09 EP disclosed
US-20090163517-A1 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES BINGGELI ALFRED 2009-06-25 US disclosed
EP-1924579-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
US-20070093521-A1 Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-04-26 US disclosed
WO-2007025897-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 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 (2 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-20090163517-A1 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES SSTR5, NPY5R, NPY1R ALDH1A1 1384/4885NPC1 3562/4885MAPT 3260/4885
US-20070093521-A1 Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives SSTR5, NPY5R, NPY1R ALDH1A1 1384/4885NPC1 3562/4885MAPT 3260/4885

“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.