SCHEMBL5516626

SCHEMBL5516626

CC[C@@H](NC(=O)[CH]C[Si](C)(C)C(N)=O)C(O)c1nc2ccccc2o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 10/20 0.40
HDAC4 P56524 10/20 0.40
HDAC1 Q13547 10/20 0.40
HDAC7 Q8WUI4 10/20 0.40
HDAC2 Q92769 10/20 0.40
HDAC10 Q969S8 10/20 0.40
HDAC11 Q96DB2 10/20 0.40
HDAC8 Q9BY41 10/20 0.40
HDAC6 Q9UBN7 10/20 0.40
HDAC9 Q9UKV0 10/20 0.40
HDAC5 Q9UQL6 10/20 0.40
NPC1 O15118 6/20 0.38
RAB9A P51151 6/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.35

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
SCHEMBL5526908 0.92 HDAC3 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14974258 0.81 PTPN2 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5519481 0.78 CTSS (0.48)
SCHEMBL5517725 0.78 CTSS (0.48)
SCHEMBL6206683 0.78 FAAH (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5516628 0.77 TSHR (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5421407 0.75 RAB9A (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5513715 0.75 RAB9A (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5412012 0.75 RAB9A (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL5946048 0.75 HDAC3 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070088001-A1 Silinane compounds as cysteine protease inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2007-04-19 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 (1 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-20070088001-A1 Silinane compounds as cysteine protease inhibitors CTSV, CTSB, CTSS HDAC3 1676/4885HDAC4 1232/4885HDAC1 558/4885

“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.