SCHEMBL1121305

SCHEMBL1121305

COC(=O)N(C)C(=O)c1cccc2oc(NC3CCN(C(=O)OC(C)(C)C)CC3)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.46
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
IDH1 O75874 1/20 0.40
IDH2 P48735 1/20 0.40
BTK Q06187 1/20 0.40
MMP13 P45452 1/20 0.40
ADORA2A P29274 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
PRMT5 O14744 1/20 0.39
CCNA2 P20248 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
SCHEMBL1121524 0.87 ALDH1A1 (0.49) PARP1ALDH1A1NPC1MAPTMAPK1
SCHEMBL1121489 0.86 PARP1 (0.48) PARP1ALDH1A1NPC1MAPTMAPK1
SCHEMBL1121754 0.86 PARP1 (0.44) PARP1ALDH1A1NPC1MAPTMAPK1
SCHEMBL1121302 0.83 PARP1 (0.46) PARP1ALDH1A1NPC1MAPTMAPK1
SCHEMBL1121669 0.82 ALDH1A1 (0.49) PARP1ALDH1A1NPC1MAPTMAPK1
SCHEMBL1121448 0.82 ALDH1A1 (0.48) PARP1ALDH1A1NPC1MAPTMAPK1
SCHEMBL1121750 0.81 PARP1 (0.47) PARP1ALDH1A1NPC1MAPTMAPK1
SCHEMBL1121329 0.79 ALDH1A1 (0.46) PARP1ALDH1A1NPC1MAPTMAPK1
SCHEMBL1121518 0.78 CCNA2 (0.47) PARP1ALDH1A1NPC1MAPTMAPK1
SCHEMBL1004889 0.78 TOP2A (0.42) PARP1ALDH1A1PIM1PIM2EHMT2

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 PARP1 4049/4885ALDH1A1 1384/4885NPC1 3562/4885
US-20070093521-A1 Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives SSTR5, NPY5R, NPY1R PARP1 4049/4885ALDH1A1 1384/4885NPC1 3562/4885

“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.