SCHEMBL353143

SCHEMBL353143

CC(C)N1CCC(C)(C(=O)Nc2cc(OC3CCc4cc(C(=O)NO)ccc4C3)ccn2)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 6/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HRH3 Q9Y5N1 5/20 0.37
WNT1 P04628 2/20 0.36
GSK3B P49841 2/20 0.36
DYRK1A Q13627 2/20 0.36
SYK P43405 2/20 0.35
FGFR1 P11362 2/20 0.35
KMT2A Q03164 1/20 0.35
SLC5A7 Q9GZV3 1/20 0.35
ACACB O00763 1/20 0.34
GCK P35557 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
SCHEMBL353174 0.92 SYK (0.42) HRH3WNT1GSK3BDYRK1ASYK
SCHEMBL356031 0.92 HRH3 (0.39) HRH3SYKFGFR1KMT2ASLC5A7
SCHEMBL353867 0.90 HDAC8 (0.39) HDAC8HDAC6SYK
SCHEMBL355960 0.89 FGFR1 (0.39) HDAC8HDAC6SYKFGFR1
SCHEMBL10247112 0.89 HDAC8 (0.42) HDAC8HDAC6SYK
SCHEMBL354479 0.87 HDAC8 (0.41) HDAC8HDAC6
SCHEMBL355334 0.87 HDAC1 (0.41) HDAC8HDAC6HRH3
SCHEMBL353250 0.85 HDAC8 (0.40) HDAC8HDAC6FGFR1KMT2ASLC5A7
SCHEMBL353604 0.84 HDAC8 (0.44) HDAC8HDAC6
SCHEMBL353421 0.81 FGFR1 (0.40) SYKFGFR1

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-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
WO-2012012322-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 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-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 HDAC8 13/4885HDAC6 1/4885HRH3 56/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 HDAC8 20/4885HDAC6 1/4885HRH3 32/4885

“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.