SCHEMBL15433149

SCHEMBL15433149

COc1cc([S+]([O-])Nc2ccc(CCC(=O)Nc3ccccc3N)cc2)ccc1C

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.59
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC2 Q92769 3/20 0.43
HDAC3 O15379 3/20 0.43
HDAC10 Q969S8 2/20 0.43
ALDH1A1 P00352 3/20 0.43
LTB4R Q15722 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
ABCB1 P08183 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL8242512 0.92 HDAC1 (0.69) HDAC1HPGDSMN1; SMN2HDAC2HDAC3
SCHEMBL14188465 0.82 HDAC1 (0.86) HDAC1SMN1; SMN2HDAC3ALDH1A1KMT2A
SCHEMBL5048895 0.74 HDAC1 (1.00) HDAC1SMN1; SMN2HDAC2HDAC3HDAC10
SCHEMBL1732448 0.72 HDAC1 (0.60) HDAC1HPGDHDAC2HDAC3HDAC10
SCHEMBL7476725 0.72 HDAC1 (0.56) HDAC1HPGDSMN1; SMN2HDAC2HDAC3
SCHEMBL3812243 0.70 HDAC1 (0.64) HDAC1SMN1; SMN2HDAC2HDAC3HDAC10
SCHEMBL1521002 0.70 RAB9A (0.71) HDAC1SMN1; SMN2HDAC2HDAC3HDAC10
SCHEMBL4896115 0.68 HDAC1 (0.60) HDAC1SMN1; SMN2HDAC2HDAC3HDAC10
SCHEMBL13352155 0.68 ALDH1A1 (0.71) HDAC1HPGDSMN1; SMN2HDAC2ALDH1A1
SCHEMBL3812238 0.67 HDAC1 (0.59) HDAC1SMN1; SMN2HDAC2HDAC3HDAC10

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-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2014-01-23 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-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF HDAC1, HDAC3, HDAC11 HDAC1 1/4885HPGD 348/4885SMN1; SMN2 3741/4885

“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.