SCHEMBL1779686

SCHEMBL1779686

Cc1noc(-c2ccccc2)c1CC=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.42
BRD2 P25440 1/20 0.42
ALDH1A1 P00352 5/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC6A9 P48067 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
TDO2 P48775 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
HDAC1 Q13547 2/20 0.40
LPAR1 Q92633 1/20 0.39
LPAR3 Q9UBY5 1/20 0.39
IP6K1 Q92551 1/20 0.38
PTPN1 P18031 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
PTGS1 P23219 1/20 0.37
HDAC3 O15379 1/20 0.37

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
SCHEMBL8976521 0.81 BRD4 (0.48) BRD4BRD2ALDH1A1MAPTSMN1; SMN2
SCHEMBL3075233 0.78 ALDH1A1 (0.48) BRD4BRD2ALDH1A1MAPTSMN1; SMN2
SCHEMBL244016 0.78 BRD4 (0.46) BRD4BRD2ALDH1A1MAPTSMN1; SMN2
SCHEMBL2413945 0.78 BRD4 (0.46) BRD4BRD2ALDH1A1MAPTSMN1; SMN2
SCHEMBL11897018 0.77 SMN1; SMN2 (0.49) BRD4BRD2ALDH1A1MAPTSMN1; SMN2
SCHEMBL11994167 0.75 BRD4 (0.43) BRD4BRD2ALDH1A1MAPTSMN1; SMN2
SCHEMBL3984438 0.75 BRD4 (0.45) BRD4BRD2ALDH1A1MAPTSMN1; SMN2
SCHEMBL14792983 0.75 ALDH1A1 (0.46) BRD4BRD2ALDH1A1MAPTSMN1; SMN2
SCHEMBL13197077 0.75 BRD4 (0.43) BRD4BRD2ALDH1A1MAPTSMN1; SMN2
SCHEMBL13435 0.75 BRD4 (0.43) BRD4BRD2ALDH1A1MAPTSMN1; SMN2

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 BRD4 234/4885BRD2 263/4885ALDH1A1 238/4885
US-20110183964-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B HDAC1, HDAC11, HDAC3 BRD4 234/4885BRD2 263/4885ALDH1A1 238/4885

“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.