SCHEMBL5330834

SCHEMBL5330834

NS(=O)(=O)NCCCCCC(=O)Nc1cccc2cccnc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 1.00
HDAC1 Q13547 5/20 0.67
HDAC4 P56524 4/20 0.67
HDAC3 O15379 3/20 0.67
HDAC7 Q8WUI4 3/20 0.67
HDAC2 Q92769 3/20 0.67
HDAC10 Q969S8 3/20 0.67
HDAC11 Q96DB2 3/20 0.67
HDAC8 Q9BY41 3/20 0.67
HDAC9 Q9UKV0 3/20 0.67
HDAC5 Q9UQL6 3/20 0.67
HTT P42858 1/20 0.63
POLB P06746 1/20 0.59
TDP1 Q9NUW8 1/20 0.55
EP300 Q09472 1/20 0.49
MEF2D Q14814 1/20 0.49
LMNA P02545 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL8112726 0.88 HDAC6 (0.79) HDAC6HDAC1HDAC4HDAC3HDAC7
SCHEMBL8119993 0.87 HDAC6 (0.77) HDAC6HDAC1HDAC4HDAC3HDAC7
SCHEMBL1063949 0.84 HDAC1 (0.79) HDAC6HDAC1HDAC4HDAC3HDAC7
SCHEMBL5457540 0.84 HDAC6 (1.00) HDAC6HDAC1HDAC4HDAC3HDAC7
SCHEMBL5460448 0.83 HDAC6 (0.71) HDAC6HDAC1HDAC4HDAC3HDAC7
SCHEMBL5329064 0.83 HDAC6 (0.71) HDAC6HDAC1HDAC4HDAC3HDAC7
SCHEMBL9464308 0.83 HTT (0.89) HDAC6HDAC1HDAC4HDAC3HDAC7
SCHEMBL5326813 0.82 HDAC6 (0.69) HDAC6HDAC1HDAC4HDAC3HDAC7
SCHEMBL5327850 0.82 HDAC1 (0.79) HDAC6HDAC1HDAC4HDAC3HDAC7
SCHEMBL5330269 0.82 HTT (0.92) HDAC6HDAC1HDAC4HDAC3HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016120432-A1 COMPOUNDS AND METHODS FOR ANTICOAGULATION THERAPY FUNDACIÓN PARA LA INVESTIGACIÓN MÉDICA APLICADA (ES) 2016-08-04 WO claimed
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
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 11/4885HDAC1 1/4885HDAC4 12/4885

“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.