SCHEMBL5048895

SCHEMBL5048895

COc1ccc(S(=O)(=O)Nc2ccc(CCC(=O)Nc3ccccc3N)cc2)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 1.00
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
CA12 O43570 1/20 0.54
CA9 Q16790 1/20 0.54
HDAC2 Q92769 3/20 0.51
MGAT2 Q10469 1/20 0.51
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HDAC3 O15379 3/20 0.49
HDAC4 P56524 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL14188465 0.93 HDAC1 (0.86) HDAC1KMT2AMEN1MGAT2HTT
SCHEMBL10189444 0.83 HDAC1 (0.70) HDAC1KMT2AMEN1CA12CA9
SCHEMBL8242512 0.82 HDAC1 (0.69) HDAC1KMT2AMEN1HDAC2SMN1; SMN2
SCHEMBL5046592 0.79 HDAC1 (1.00) HDAC1CA12CA9HDAC2HDAC3
SCHEMBL6563140 0.77 KEAP1 (0.70) HDAC1KMT2AMEN1CA12CA9
SCHEMBL211196 0.77 HDAC1 (0.71) HDAC1KMT2AMEN1HDAC2LMNA
SCHEMBL5020639 0.76 HDAC1 (0.61) HDAC1KMT2AMEN1CA12CA9
SCHEMBL1732448 0.75 HDAC1 (0.60) HDAC1KMT2AMEN1HDAC2LMNA
SCHEMBL3558972 0.75 WDR5 (0.66) HDAC1KMT2AMEN1CA12CA9
SCHEMBL15433149 0.74 HDAC1 (0.59) HDAC1KMT2AHDAC2SMN1; SMN2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796330-B2 Inhibitors of histone deacetylase and prodrugs thereof METHYLGENE INC. (CA) 2014-08-05 US disclosed
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2014-01-23 US disclosed
US-RE43343-E1 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-05-01 US disclosed
US-20080146623-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2008-06-19 US disclosed
US-RE39850-E1 Aryl amide, -sulfonamide, or -urea derivatives; antiproliferative, antitumor, anticarcinogenic, and/or antimetastasis agents METHYLGENE, INC. (CA) 2007-09-18 US disclosed
US-RE39850-E1 Aryl amide, -sulfonamide, or -urea derivatives; antiproliferative, antitumor, anticarcinogenic, and/or antimetastasis agents METHYLGENE, INC. (CA) 2007-09-18 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-20080146623-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF HDAC1, HDAC3, HDAC11 HDAC1 1/4885KMT2A 36/4885MEN1 1848/4885
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF HDAC1, HDAC3, HDAC11 HDAC1 1/4885KMT2A 36/4885MEN1 1848/4885

“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.