SCHEMBL1777902

SCHEMBL1777902

CC(C)(C)c1[nH]c2ncccc2c1C=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.44
KMT2A Q03164 2/20 0.44
AURKA O14965 1/20 0.42
PARP1 P09874 1/20 0.42
ALDH1A1 P00352 1/20 0.40
ERN1 O75460 1/20 0.40
MET P08581 1/20 0.39
FEN1 P39748 1/20 0.39
HPGD P15428 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
LATS1 O95835 1/20 0.36
LATS2 Q9NRM7 1/20 0.36
LOXL3 P58215 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
PDK2 Q15119 1/20 0.34
MAP2K1 Q02750 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
SCHEMBL1779458 0.79 HDAC1 (0.50) HDAC1KMT2AAURKAPARP1ALDH1A1
SCHEMBL1714222 0.79 KMT2A (0.47) KMT2AAURKAPARP1ALDH1A1ERN1
SCHEMBL14506242 0.77 AURKA (0.43) HDAC1KMT2AAURKAPARP1ALDH1A1
SCHEMBL22793031 0.77 AURKA (0.43) HDAC1KMT2AAURKAPARP1ALDH1A1
SCHEMBL2345339 0.76 KMT2A (0.47) KMT2AAURKAPARP1ALDH1A1ERN1
SCHEMBL29955300 0.75 KMT2A (0.44) KMT2AAURKAPARP1ALDH1A1ERN1
SCHEMBL16454860 0.74 HDAC1 (0.46) HDAC1KMT2AAURKAPARP1ALDH1A1
SCHEMBL15533531 0.74 GABRA1 (0.40) HDAC1KMT2AAURKAPARP1ALDH1A1
SCHEMBL29952372 0.73 HPGD (0.64) KMT2AALDH1A1HPGDMEN1MAPT
SCHEMBL15828663 0.73 MET (0.43) HDAC1KMT2AAURKAPARP1MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
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 1/4885KMT2A 103/4885AURKA 2310/4885
US-20110183964-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B HDAC1, HDAC11, HDAC3 HDAC1 1/4885KMT2A 103/4885AURKA 2310/4885

“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.