SCHEMBL1121891

SCHEMBL1121891

CS(=O)(=O)Oc1ccc2oc(NC3CCNCC3)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.44
FAAH O00519 5/20 0.43
SSTR5 P35346 6/20 0.41
HRH1 P35367 3/20 0.41
SSTR1 P30872 1/20 0.41
GRK5 P34947 1/20 0.40
KCNH2 Q12809 2/20 0.40
HTR6 P50406 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
Hydrochloric Acid SCHEMBL1121888 0.99 HDAC6 (0.43) HDAC6FAAHSSTR5HRH1SSTR1
SCHEMBL1121546 0.86 FAAH (0.52) HDAC6FAAHSSTR5
SCHEMBL28775011 0.84 SSTR5 (0.42) HDAC6FAAHSSTR5HRH1SSTR1
Hydrochloric Acid SCHEMBL1121487 0.84 SSTR5 (0.42) HDAC6FAAHSSTR5HRH1SSTR1
SCHEMBL4594314 0.81 SSTR5 (0.46) HDAC6FAAHSSTR5HRH1SSTR1
SCHEMBL13543032 0.81 SSTR5 (0.54) HDAC6FAAHSSTR5
SCHEMBL1121582 0.80 HDAC6 (0.45) HDAC6FAAHSSTR5HRH1SSTR1
Bromide SCHEMBL3568591 0.80 SSTR5 (0.53) HDAC6FAAHSSTR5
SCHEMBL5486583 0.80 SSTR5 (0.56) SSTR5HRH1KCNH2
SCHEMBL1121588 0.79 FAAH (0.44) HDAC6FAAHSSTR5

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 HDAC6 1473/4885FAAH 2648/4885SSTR5 1/4885
US-20070093521-A1 Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives SSTR5, NPY5R, NPY1R HDAC6 1473/4885FAAH 2648/4885SSTR5 1/4885

“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.