SCHEMBL6899276

SCHEMBL6899276

CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H](Cn2cc(-c3cccnc3)nn2)N(CC(=O)c2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.41
NAMPT P43490 4/20 0.38
KDR P35968 1/20 0.37
TEK Q02763 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HDAC3 O15379 3/20 0.36
HDAC4 P56524 3/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC7 Q8WUI4 3/20 0.36
HDAC2 Q92769 3/20 0.36
HDAC10 Q969S8 3/20 0.36
HDAC11 Q96DB2 3/20 0.36

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
SCHEMBL6899283 0.83 SRC (0.45) SRCNAMPTKDRTEKALDH1A1
SCHEMBL29954 0.81 HDAC3 (0.38) NAMPTKDRTEKDRD2DRD4
SCHEMBL15241285 0.81 DAGLB (0.38) NAMPTKDRTEKKMT2ATDP1
SCHEMBL6900607 0.78 MEN1 (0.36) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL6900577 0.77 GRIN2B (0.35) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL6900604 0.77 GRIN2B (0.35) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL15235879 0.72 GRIN1 (0.31) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL6897245 0.71 GRIN2B (0.35) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL6899921 0.70 KMT2A (0.39) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL15235877 0.70 KMT2A (0.34) ALDH1A1KDM4EMEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2013-09-05 US disclosed
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-10 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-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES HDAC1, HDAC11, HDAC3 SRC 4182/4885NAMPT 291/4885KDR 3828/4885
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases HDAC1, HDAC11, HDAC3 SRC 4151/4885NAMPT 291/4885KDR 3821/4885

“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.