SCHEMBL5328199

SCHEMBL5328199

CC(C)(C)OC(=O)NCCCCCC(=O)Nc1cc(OCc2ccccc2)cc2cccnc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 8/20 0.54
CYP3A4 P08684 1/20 0.51
HDAC1 Q13547 9/20 0.48
HDAC8 Q9BY41 6/20 0.48
HDAC2 Q92769 5/20 0.48
HDAC3 O15379 4/20 0.48
HDAC4 P56524 4/20 0.48
HDAC7 Q8WUI4 4/20 0.48
HDAC10 Q969S8 4/20 0.48
HDAC11 Q96DB2 4/20 0.48
HDAC9 Q9UKV0 4/20 0.48
HDAC5 Q9UQL6 4/20 0.48
KDM4E B2RXH2 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 2/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
KMT2A Q03164 1/20 0.44
GBA1 P04062 1/20 0.43

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
SCHEMBL8103401 0.83 HDAC6 (0.57) HDAC6HDAC1HDAC8HDAC2HDAC3
Hydrochloric Acid SCHEMBL5323573 0.82 HDAC6 (0.56) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL5325195 0.82 HDAC6 (0.77) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL8401286 0.79 SLC40A1 (0.51) HDAC6CYP3A4HDAC1HDAC8ALDH1A1
SCHEMBL8110769 0.78 KMT2A (0.49) HDAC6CYP3A4HDAC1HDAC8KDM4E
SCHEMBL5490501 0.76 HDAC6 (0.76) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL18249547 0.75 KMT2A (0.49) HDAC6HDAC1HDAC8KDM4EL3MBTL1
SCHEMBL5483041 0.75 HDAC6 (0.73) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL8257998 0.73 HDAC1 (0.68) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL31203452 0.73 CYP1A2 (0.54) HDAC6CYP3A4HDAC1HDAC8HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007143822-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS METHYLGENE INC. (CA) 2007-12-21 WO disclosed
US-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS METHYLGENE INC. (CA) 2007-12-20 US disclosed
US-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS METHYLGENE INC. (CA) 2007-12-20 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-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HAT1 HDAC6 11/4885CYP3A4 3451/4885HDAC1 1/4885

“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.