SCHEMBL1121855

SCHEMBL1121855

N#CCOc1ccc2oc(NC3CCNCC3)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.44
IRAK4 Q9NWZ3 2/20 0.42
HDAC6 Q9UBN7 1/20 0.40
SSTR5 P35346 4/20 0.40
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
PIK3CA P42336 1/20 0.37
HTR3A P46098 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL4594314 0.83 SSTR5 (0.46) FAAHHDAC6SSTR5TLR9TLR7
Hydrochloric Acid SCHEMBL1121926 0.83 TLR7 (0.43) FAAHHDAC6SSTR5TLR9TLR7
SCHEMBL1121939 0.82 HDAC6 (0.42) FAAHIRAK4HDAC6SSTR5KCNH2
Hydrochloric Acid SCHEMBL1121509 0.82 TLR7 (0.43) FAAHHDAC6SSTR5TLR9TLR7
SCHEMBL1121588 0.82 FAAH (0.44) FAAHIRAK4HDAC6SSTR5TLR9
SCHEMBL1121546 0.82 FAAH (0.52) FAAHIRAK4HDAC6SSTR5
SCHEMBL1121777 0.81 HDAC6 (0.46) FAAHIRAK4HDAC6SSTR5KCNH2
SCHEMBL27733066 0.81 SSTR5 (0.37) FAAHHDAC6SSTR5TLR9TLR7
SCHEMBL1121922 0.80 FAAH (0.52) FAAHIRAK4HDAC6PIK3CA
SCHEMBL1121582 0.80 HDAC6 (0.45) FAAHHDAC6SSTR5KCNH2

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 439/4885HDAC6 1473/4885
US-20070093521-A1 Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives SSTR5, NPY5R, NPY1R FAAH 2648/4885IRAK4 439/4885HDAC6 1473/4885

“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.