SCHEMBL1121827

SCHEMBL1121827

COc1ccc2oc(NC3CCN(C(=O)OC(C)(C)C)CC3)nc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
DYRK1A Q13627 1/20 0.55
STS P08842 2/20 0.48
NSD2 O96028 2/20 0.48
HTT P42858 2/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SSTR5 P35346 3/20 0.46
EPHX2 P34913 1/20 0.46
EHMT2 Q96KQ7 2/20 0.46
KDM1A O60341 1/20 0.46
RCOR1 Q9UKL0 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
DNMT3A Q9Y6K1 1/20 0.45
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44

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
SCHEMBL1121642 0.90 ALDH1A1 (0.50) ALDH1A1DYRK1ASTSNSD2HTT
SCHEMBL1121586 0.89 ALDH1A1 (0.50) ALDH1A1DYRK1ANSD2HTTNPC1
SCHEMBL1121893 0.88 ALDH1A1 (0.49) ALDH1A1DYRK1ANSD2HTTNPC1
SCHEMBL3568188 0.88 ALDH1A1 (0.49) ALDH1A1NSD2HTTNPC1MAPT
SCHEMBL1121342 0.88 ALDH1A1 (0.49) ALDH1A1DYRK1ANSD2HTTNPC1
SCHEMBL1121631 0.87 HDAC6 (0.50) ALDH1A1DYRK1ANSD2HTTNPC1
SCHEMBL1121491 0.87 ALDH1A1 (0.48) ALDH1A1DYRK1AHTTNPC1MAPT
SCHEMBL26554300 0.87 ALDH1A1 (0.48) ALDH1A1NSD2HTTNPC1MAPT
SCHEMBL29437047 0.87 ALDH1A1 (0.48) ALDH1A1NSD2HTTNPC1MAPT
SCHEMBL1121696 0.86 ALDH1A1 (0.47) ALDH1A1DYRK1ANSD2HTTNPC1

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 1384/4885DYRK1A 935/4885STS 92/4885
US-20070093521-A1 Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives SSTR5, NPY5R, NPY1R ALDH1A1 1384/4885DYRK1A 935/4885STS 92/4885

“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.