SCHEMBL16992104

SCHEMBL16992104

COc1cc(CN(Cc2ccccc2)C(=O)OC(C)(C)C)ccc1C(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TSHR P16473 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 2/20 0.43
HPGD P15428 1/20 0.43
BACE1 P56817 1/20 0.43
MAPT P10636 3/20 0.41
ALDH1A1 P00352 1/20 0.41
TBXA2R P21731 1/20 0.41
PTGDR Q13258 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TAS2R14 Q9NYV8 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MTNR1A P48039 1/20 0.40

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
SCHEMBL16991900 0.91 L3MBTL1 (0.47) HDAC3HDAC1HDAC2NCOR2MEN1
SCHEMBL2593309 0.85 HDAC3 (0.51) HDAC3HDAC1HDAC2NCOR2MEN1
SCHEMBL16991895 0.84 MEN1 (0.46) HDAC3HDAC1HDAC2NCOR2MEN1
SCHEMBL2035567 0.81 HDAC3 (0.47) HDAC3HDAC1HDAC2NCOR2MEN1
SCHEMBL28987476 0.81 PPARG (0.47) HDAC3HDAC1HDAC2NCOR2MEN1
SCHEMBL6289072 0.79 HDAC3 (0.50) HDAC3HDAC1HDAC2NCOR2MEN1
SCHEMBL27657930 0.79 HDAC3 (0.52) HDAC3HDAC1HDAC2NCOR2TSHR
SCHEMBL25489056 0.77 HDAC1 (0.39) HDAC3HDAC1HDAC2NCOR2HPGD
SCHEMBL3745549 0.77 HDAC3 (0.60) HDAC3HDAC1HDAC2NCOR2TSHR
SCHEMBL16992162 0.77 MEN1 (0.43) HDAC3HDAC1HDAC2NCOR2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11786524-B2 Pharmaceutical compounds SENTINEL ONCOLOGY LIMITED (GB) 2023-10-17 US disclosed
US-11786524-B2 Pharmaceutical compounds SENTINEL ONCOLOGY LIMITED (GB) 2023-10-17 US disclosed
US-20210275525-A1 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2021-09-09 US disclosed
US-20210275525-A1 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2021-09-09 US disclosed
EP-3811944-A1 PHARMACEUTICAL COMPOUNDS AS CHK1 INHIBITORS Sentinel Oncology Limited (GB) 2021-04-28 EP disclosed
US-10973817-B2 Pharmaceutical compounds SENTINEL ONCOLOGY LIMITED (GB) 2021-04-13 US disclosed
US-10973817-B2 Pharmaceutical compounds SENTINEL ONCOLOGY LIMITED (GB) 2021-04-13 US disclosed
EP-3104860-B1 PHARMACEUTICAL COMPOUNDS AS CHK1 INHIBITORS SENTINEL ONCOLOGY LTD (GB) 2020-12-30 EP disclosed
US-20180271860-A1 PHARMACEUTICAL COMPOUNDS CASCADIAN THERAPEUTICS, INC. (US) 2018-09-27 US disclosed
US-10010547-B2 Pharmaceutical compounds CASCADIAN THERAPEUTICS, INC. (US) 2018-07-03 US disclosed
US-10010547-B2 Pharmaceutical compounds CASCADIAN THERAPEUTICS, INC. (US) 2018-07-03 US disclosed
US-10010547-B2 Pharmaceutical compounds CASCADIAN THERAPEUTICS, INC. (US) 2018-07-03 US disclosed
EP-3104860-A1 PHARMACEUTICAL COMPOUNDS Cascadian Therapeutics, Inc. (US) 2016-12-21 EP disclosed
US-20160361310-A1 PHARMACEUTICAL COMPOUNDS SEATTLE GENETICS, INC. 2016-12-15 US disclosed
US-20160361310-A1 PHARMACEUTICAL COMPOUNDS SEATTLE GENETICS, INC. 2016-12-15 US disclosed
US-20160361310-A1 PHARMACEUTICAL COMPOUNDS SEATTLE GENETICS, INC. 2016-12-15 US disclosed
WO-2015120390-A1 PHARMACEUTICAL COMPOUNDS ONCOTHYREON INC. (US) 2015-08-13 WO disclosed
WO-2015120390-A1 PHARMACEUTICAL COMPOUNDS ONCOTHYREON INC. (US) 2015-08-13 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 (6 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-10010547-B2 Pharmaceutical compounds CHKA, CHKB, TNK2 HDAC3 369/4885HDAC1 547/4885HDAC2 696/4885
US-20180271860-A1 PHARMACEUTICAL COMPOUNDS CHKA, CHKB, TNK2 HDAC3 369/4885HDAC1 547/4885HDAC2 696/4885
US-11786524-B2 Pharmaceutical compounds CHKA, CHKB, TNK2 HDAC3 369/4885HDAC1 547/4885HDAC2 696/4885
US-20160361310-A1 PHARMACEUTICAL COMPOUNDS CHKA, CHKB, TNK2 HDAC3 369/4885HDAC1 547/4885HDAC2 696/4885
US-20210275525-A1 PHARMACEUTICAL COMPOUNDS CHKA, CHKB, TNK2 HDAC3 369/4885HDAC1 547/4885HDAC2 696/4885
US-10973817-B2 Pharmaceutical compounds CHKA, CHKB, TNK2 HDAC3 369/4885HDAC1 547/4885HDAC2 696/4885

“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.