SCHEMBL6282747

SCHEMBL6282747

CC(C)(C)[Si](NO)(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
ESR1 P03372 3/20 0.35
ESR2 Q92731 3/20 0.35
GAA P10253 2/20 0.34
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
IDO1 P14902 1/20 0.33
EGFR P00533 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TAAR1 Q96RJ0 1/20 0.32

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
Hydrochloric Acid SCHEMBL23928399 0.98 HDAC3 (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL841941 0.81 TAAR1 (0.34) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7760178 0.77 HDAC3 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9095282 0.74 MAPT (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6809961 0.71 CYP3A4 (0.42) GAAIDO1TAAR1HTTSMN1; SMN2
SCHEMBL22266027 0.71 KEAP1 (0.41) ALDH1A1
SCHEMBL19600559 0.70 KIF11 (0.40) TAAR1SMN1; SMN2CYP3A4AOC3
SCHEMBL9404945 0.70 SLC6A4 (0.41) GAAALDH1A1TAAR1ALOX15HTT
SCHEMBL6807132 0.69 EPHX2 (0.40) GAAALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL564255 0.69 NR1H2 (0.39) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3766869-B1 SIMPLE PREPARATION METHOD FOR AVIBACTAM XINFA PHARMACEUTICAL CO LTD (CN) 2023-05-10 EP claimed
EP-1596846-A2 INHIBITORS OF HEPATITIS C VIRUS, COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2005-11-23 EP disclosed
US-20040229817-A1 Inhibitors of Hepatitis C virus, compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2004-11-18 US disclosed
WO-2004073599-A2 INHIBITORS OF HEPATITIS C VIRUS, COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2004-09-02 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 (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-20040229817-A1 Inhibitors of Hepatitis C virus, compositions and treatments using the same TIMP3, MMP2, MMP7 HDAC3 118/4885HDAC4 277/4885HDAC1 128/4885

“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.