SCHEMBL1121546

SCHEMBL1121546

COc1ccc2oc(NC3CCNCC3)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.52
IRAK4 Q9NWZ3 2/20 0.47
DYRK1A Q13627 1/20 0.47
HPGDS O60760 1/20 0.47
SSTR5 P35346 1/20 0.45
CYP1A2 P05177 3/20 0.45
LMNA P02545 2/20 0.45
CYP3A4 P08684 2/20 0.45
MAPK1 P28482 2/20 0.45
HSD17B10 Q99714 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
HIF1A Q16665 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP2C19 P33261 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL1121891 0.86 HDAC6 (0.44) FAAHSSTR5HDAC6
SCHEMBL1121588 0.85 FAAH (0.44) FAAHIRAK4HPGDSSSTR5HDAC6
SCHEMBL4594314 0.85 SSTR5 (0.46) FAAHSSTR5HDAC6
Hydrochloric Acid SCHEMBL1121888 0.85 HDAC6 (0.43) FAAHSSTR5HDAC6
SCHEMBL13543032 0.84 SSTR5 (0.54) FAAHSSTR5HDAC6
SCHEMBL1121582 0.84 HDAC6 (0.45) FAAHHPGDSSSTR5HSD17B10ALDH1A1
Bromide SCHEMBL3568591 0.83 SSTR5 (0.53) FAAHSSTR5HDAC6
SCHEMBL4748135 0.82 FAAH (0.49) FAAHSSTR5HDAC6
Hydrochloric Acid SCHEMBL1121926 0.82 TLR7 (0.43) FAAHSSTR5HDAC6
SCHEMBL1121855 0.82 FAAH (0.44) FAAHIRAK4SSTR5HDAC6

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 FAAH 2648/4885IRAK4 439/4885DYRK1A 935/4885
US-20070093521-A1 Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives SSTR5, NPY5R, NPY1R FAAH 2648/4885IRAK4 439/4885DYRK1A 935/4885

“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.