SCHEMBL1779014

SCHEMBL1779014

Cc1cc(-c2cc3ccccc3[nH]2)no1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.56
AURKB Q96GD4 1/20 0.56
GSK3B P49841 1/20 0.48
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
ESR1 P03372 1/20 0.47
KDM4E B2RXH2 4/20 0.44
MAPT P10636 4/20 0.44
MEN1 O00255 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
KMT2A Q03164 3/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ITK Q08881 3/20 0.43

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
SCHEMBL2730463 0.74 AURKA (0.49) AURKAAURKBRAB9ANPC1ESR1
SCHEMBL2731174 0.74 AURKA (0.49) AURKAAURKBRAB9ANPC1ESR1
SCHEMBL22940435 0.73 AURKA (0.59) AURKAAURKBGSK3BRAB9ANPC1
SCHEMBL11192712 0.73 GSK3B (0.54) AURKAAURKBGSK3BRAB9ANPC1
SCHEMBL23641151 0.73 GSK3B (0.62) AURKAAURKBGSK3BRAB9ANPC1
SCHEMBL10924605 0.73 AURKB (0.52) AURKAAURKBRAB9ANPC1ESR1
SCHEMBL374022 0.72 RAB9A (0.74) AURKAAURKBGSK3BRAB9ANPC1
SCHEMBL29631691 0.72 RAB9A (0.74) AURKAAURKBGSK3BRAB9ANPC1
SCHEMBL693581 0.71 GSK3B (0.59) AURKAAURKBGSK3BRAB9ANPC1
SCHEMBL695340 0.71 AURKA (0.56) AURKAAURKBGSK3BRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2260020-B1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B NOVARTIS AG (CH) 2014-07-23 EP disclosed
EP-2628726-A1 Hydroxamate-based inhibitors of deacetylases b Novartis AG (CH) 2013-08-21 EP disclosed
US-8349883-B2 Hydroxamate-based inhibitors of deacetylases B NOVARTIS AG (CH) 2013-01-08 US disclosed
US-20110183964-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B NOVARTIS AG (CH) 2011-07-28 US disclosed
US-7943652-B2 Hydroxamate-based inhibitors of deacetylases B NOVARTIS AG (CH) 2011-05-17 US disclosed
EP-2260020-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B Novartis AG (CH) 2010-12-15 EP disclosed
US-20090247547-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B NOVARTIS AG 2009-10-01 US disclosed
WO-2009118305-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B NOVARTIS AG (CH) 2009-10-01 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-20090247547-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B HDAC1, HDAC11, HDAC3 AURKA 2310/4885AURKB 650/4885GSK3B 736/4885
US-20110183964-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B HDAC1, HDAC11, HDAC3 AURKA 2310/4885AURKB 650/4885GSK3B 736/4885

“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.