SCHEMBL2409944

SCHEMBL2409944

COc1ncc(C(=O)NO)cc1[C@H](C)NC(=O)C1CCN(C)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.37
DYRK1A Q13627 3/20 0.37
MKNK1 Q9BUB5 1/20 0.36
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
ACACB O00763 2/20 0.36
POLB P06746 1/20 0.36
MALT1 Q9UDY8 2/20 0.36
CTSA P10619 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
IKBKB O14920 1/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 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
SCHEMBL2408060 0.78 HDAC6 (0.44) GSK3BDYRK1AMKNK1HDAC3HDAC1
SCHEMBL2410558 0.76 HDAC6 (0.40) HDAC3HDAC1HDAC2HDAC6KDM4E
SCHEMBL2407949 0.76 HDAC6 (0.41) HDAC3HDAC1HDAC2HDAC6CTSA
SCHEMBL12280562 0.74 HDAC6 (0.42) HDAC3HDAC1HDAC2HDAC6CTSA
SCHEMBL16046440 0.74 CYP17A1 (0.46) HDAC3HDAC1HDAC2HDAC6LMNA
SCHEMBL12279983 0.74 HDAC1 (0.40) GSK3BDYRK1AMKNK1HDAC3HDAC1
SCHEMBL2410303 0.73 HDAC1 (0.39) HDAC3HDAC1HDAC2HDAC6ACACB
SCHEMBL12271651 0.73 TP53 (0.39) MKNK1HDAC6ACACBPOLBALDH1A1
SCHEMBL12271447 0.73 MKNK1 (0.38) MKNK1ACACBPOLBKDM4EALDH1A1
SCHEMBL2410759 0.72 CTSA (0.48) GSK3BHDAC3HDAC1HDAC2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US disclosed
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
WO-2011106632-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 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-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 GSK3B 28/4885DYRK1A 1599/4885MKNK1 3433/4885
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 GSK3B 28/4885DYRK1A 1599/4885MKNK1 3433/4885

“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.