SCHEMBL1779458

SCHEMBL1779458

CC(C)(C)c1[nH]c2ncccc2c1CC=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.50
AURKA O14965 1/20 0.41
PARP1 P09874 1/20 0.41
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.38
FEN1 P39748 1/20 0.37
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HTT P42858 1/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MTNR1A P48039 1/20 0.35
GPR84 Q9NQS5 1/20 0.34

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
SCHEMBL16454860 0.81 HDAC1 (0.46) HDAC1AURKAPARP1KMT2AALDH1A1
SCHEMBL1777902 0.79 HDAC1 (0.44) HDAC1AURKAPARP1KMT2AALDH1A1
SCHEMBL22793031 0.74 AURKA (0.43) HDAC1AURKAPARP1KMT2AALDH1A1
SCHEMBL14506242 0.74 AURKA (0.43) HDAC1AURKAPARP1KMT2AALDH1A1
SCHEMBL15828663 0.71 MET (0.43) HDAC1AURKAPARP1KMT2AMEN1
SCHEMBL30731128 0.68 KMT2A (0.42) HDAC1AURKAPARP1KMT2AALDH1A1
SCHEMBL12632640 0.67 GPR84 (0.44) HDAC1CHRNB2CHRNA7CHRNA4MTNR1A
SCHEMBL14533462 0.66 AURKA (0.44) AURKAPARP1KMT2AALDH1A1FEN1
SCHEMBL21809223 0.66 GPR84 (0.67) HDAC1KMT2AMTNR1AGPR84CYP1A2
SCHEMBL23103527 0.65 LATS1 (0.44) HDAC1AURKAPARP1ALDH1A1FEN1

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
CN-102036955-B Hydroxamate-based inhibitors of deacetylase B NOVARTIS AG 2013-03-27 CN 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
CN-102036955-A Hydroxamate-based inhibitors of deacetylase B NOVARTIS AG 2011-04-27 CN disclosed
US-20090247547-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B NOVARTIS AG 2009-10-01 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-20090247547-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B HDAC1, HDAC11, HDAC3 HDAC1 1/4885AURKA 2310/4885PARP1 524/4885
US-20110183964-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B HDAC1, HDAC11, HDAC3 HDAC1 1/4885AURKA 2310/4885PARP1 524/4885

“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.