SCHEMBL5355871

SCHEMBL5355871

COc1ccc(-c2nc(C(CCCCN)NC(=O)O)c[nH]2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
TPSAB1 Q15661 1/20 0.37
GHSR Q92847 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PTGS2 P35354 2/20 0.36
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
CPB2 Q96IY4 1/20 0.35
ROCK2 O75116 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
SCHEMBL5363436 0.86 HDAC6 (0.55) HDAC1HDAC6
SCHEMBL8112086 0.86 HDAC1 (0.57) HDAC1HDAC6PRSS1PRSS2PRSS3
SCHEMBL5461533 0.76 HDAC6 (0.44) HDAC1HDAC6
SCHEMBL8113303 0.75 HDAC6 (0.74) HDAC1HDAC6
SCHEMBL3955607 0.73 SIRT1 (0.42) HDAC1HDAC6HSD17B10MAPTALOX15
SCHEMBL5469798 0.73 HDAC6 (0.52) HDAC1HDAC6
SCHEMBL5466807 0.73 HDAC6 (0.43) HDAC1HDAC6
SCHEMBL4048878 0.72 HDAC1 (0.33) HDAC1HDAC6ALDH1A1ADORA3ADORA2A
SCHEMBL5360383 0.72 MAPT (0.55) HDAC1HDAC6MEN1KMT2AMAPT
SCHEMBL5360376 0.72 MAPT (0.55) HDAC1HDAC6MEN1KMT2AMAPT

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
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

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 HDAC1 1/4885HDAC6 11/4885PRSS1 1089/4885

“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.