SCHEMBL29071

SCHEMBL29071

CC(C)(C)OC(=O)N1CCCC1Cc1nc(-c2ccccc2)no1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.51
SPHK1 Q9NYA1 4/20 0.49
SPHK2 Q9NRA0 4/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 3/20 0.48
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 1/20 0.47
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SCD5 Q86SK9 1/20 0.45
NPC1 O15118 1/20 0.44
USP30 Q70CQ3 1/20 0.44

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
SCHEMBL29070 1.00 GPR119 (0.51) GPR119SPHK1SPHK2POLBRAB9A
SCHEMBL4138845 0.90 SPHK1 (0.49) GPR119SPHK1SPHK2
SCHEMBL25176627 0.86 SPHK2 (0.72) GPR119SPHK1SPHK2
SCHEMBL16949469 0.84 SPHK2 (0.51) SPHK1SPHK2POLBRAB9AALDH1A1
SCHEMBL29308060 0.84 SPHK1 (0.48) GPR119SPHK1SPHK2HPGD
SCHEMBL25170389 0.84 SPHK1 (0.48) GPR119SPHK1SPHK2HPGD
SCHEMBL8288204 0.83 PRMT5 (0.48) GPR119POLBALDH1A1KMT2AL3MBTL1
SCHEMBL15785127 0.82 GPR119 (0.62) GPR119POLBRAB9AALDH1A1KMT2A
SCHEMBL4954639 0.81 HCRTR1 (0.56)
SCHEMBL4954645 0.81 HCRTR1 (0.56)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2013-09-05 US disclosed
EP-2609078-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES Novartis AG (CH) 2013-07-03 EP disclosed
WO-2012025164-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2012-03-01 WO disclosed
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-10 US 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-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES HDAC1, HDAC11, HDAC3 GPR119 339/4885SPHK1 1916/4885SPHK2 1638/4885
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases HDAC1, HDAC11, HDAC3 GPR119 415/4885SPHK1 1729/4885SPHK2 1514/4885

“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.