SCHEMBL1121582

SCHEMBL1121582

COC(=O)COc1ccc2oc(NC3CCNCC3)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.45
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 2/20 0.43
FAAH O00519 2/20 0.42
HPGDS O60760 1/20 0.42
SSTR5 P35346 8/20 0.42
KDR P35968 1/20 0.42
SSTR1 P30872 2/20 0.42
KCNH2 Q12809 2/20 0.41
HPGD P15428 1/20 0.40
HRH1 P35367 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
SCHEMBL1121662 0.89 PDE3B (0.44) HDAC6FAAHHPGDSSSTR5KDR
SCHEMBL1121777 0.89 HDAC6 (0.46) HDAC6ALDH1A1HSD17B10FAAHHPGDS
SCHEMBL1121592 0.86 HDAC6 (0.42) HDAC6KDM4EALDH1A1HSD17B10FAAH
SCHEMBL1121939 0.84 HDAC6 (0.42) HDAC6FAAHHPGDSSSTR5KDR
SCHEMBL1121546 0.84 FAAH (0.52) HDAC6KDM4EALDH1A1HSD17B10FAAH
SCHEMBL1121588 0.83 FAAH (0.44) HDAC6FAAHHPGDSSSTR5KDR
SCHEMBL1121554 0.83 KDM4E (0.48) HDAC6KDM4EALDH1A1FAAHSSTR5
SCHEMBL4594314 0.83 SSTR5 (0.46) HDAC6FAAHSSTR5SSTR1KCNH2
Hydrochloric Acid SCHEMBL1121926 0.82 TLR7 (0.43) HDAC6FAAHSSTR5KDRSSTR1
SCHEMBL1121586 0.81 ALDH1A1 (0.50) ALDH1A1SSTR5SSTR1KCNH2HRH1

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 1473/4885KDM4E 3024/4885ALDH1A1 1384/4885
US-20070093521-A1 Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives SSTR5, NPY5R, NPY1R HDAC6 1473/4885KDM4E 3024/4885ALDH1A1 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.