SCHEMBL1121554

SCHEMBL1121554

COC(=O)Cc1ccc2oc(NC3CCNCC3)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.48
HDAC6 Q9UBN7 1/20 0.47
SSTR5 P35346 10/20 0.44
FAAH O00519 2/20 0.44
SSTR1 P30872 2/20 0.43
KCNH2 Q12809 3/20 0.42
HRH1 P35367 2/20 0.42
USP2 O75604 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL27732994 0.84 HDAC6 (0.46) HDAC6SSTR5FAAHSSTR1KCNH2
SCHEMBL1121582 0.83 HDAC6 (0.45) KDM4EALDH1A1HDAC6SSTR5FAAH
SCHEMBL1121416 0.81 HDAC6 (0.57) NPC1HDAC6SSTR5FAAHSSTR1
SCHEMBL1121662 0.81 PDE3B (0.44) HDAC6SSTR5FAAHSSTR1KCNH2
SCHEMBL1121655 0.81 ALDH1A1 (0.47) KDM4ENPC1ALDH1A1MAPK1SSTR5
SCHEMBL1121546 0.78 FAAH (0.52) KDM4EALDH1A1MAPK1HDAC6SSTR5
SCHEMBL26553849 0.78 FAAH (0.42) HDAC6SSTR5FAAHKCNH2HRH1
Hydrochloric Acid SCHEMBL25399378 0.77 FAAH (0.42) HDAC6SSTR5FAAHKCNH2HRH1
SCHEMBL1121449 0.77 SSTR5 (0.71) SSTR5SSTR1KCNH2HRH1
SCHEMBL4594256 0.77 HDAC6 (0.50) HDAC6FAAH

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 KDM4E 3024/4885NPC1 3562/4885ALDH1A1 1384/4885
US-20070093521-A1 Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives SSTR5, NPY5R, NPY1R KDM4E 3024/4885NPC1 3562/4885ALDH1A1 1384/4885

“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.