SCHEMBL6507327

SCHEMBL6507327

CN(c1ccc2oc(C(=O)NO)cc2c1)S(=O)(=O)CCc1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42
F12 P00748 1/20 0.39
RAB9A P51151 4/20 0.39
LMNA P02545 3/20 0.39
NPC1 O15118 3/20 0.39
CLK1 P49759 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
HDAC6 Q9UBN7 3/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC4 P56524 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL6514477 0.80 HDAC1 (0.48) CLK1HDAC6HDAC1HDAC4
SCHEMBL6507771 0.80 HTR6 (0.46) ALDH1A1MAPTKDM4EGAAF12
SCHEMBL6509270 0.75 BCAT1 (0.50) ALDH1A1MAPTGAARAB9ALMNA
SCHEMBL6509960 0.72 PTPN22 (0.58) MAPTKDM4ERAB9ALMNANPC1
SCHEMBL6510460 0.70 PTPN22 (0.50) ALDH1A1MAPTRAB9ALMNANPC1
SCHEMBL6509586 0.67 RAB9A (0.44) ALDH1A1MAPTGAARAB9ALMNA
SCHEMBL13485789 0.66 NPC1 (0.68) ALDH1A1RAB9ALMNANPC1TAS1R3
SCHEMBL28891069 0.66 NPC1 (0.68) ALDH1A1RAB9ALMNANPC1TAS1R3
SCHEMBL6510159 0.66 HDAC6 (0.52) ALDH1A1KDM4EGAARAB9ALMNA
SCHEMBL7603897 0.63 NQO2 (0.46) KDM4ELMNAMTNR1A

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-2005066151-A2 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2005-07-21 WO claimed
US-20050137234-A1 Histone deacetylase inhibitors SYRRX, INC. 2005-06-23 US claimed
WO-2005066151-A2 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2005-07-21 WO disclosed
WO-2005066151-A2 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2005-07-21 WO disclosed
US-20050137234-A1 Histone deacetylase inhibitors SYRRX, INC. 2005-06-23 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-20050137234-A1 Histone deacetylase inhibitors HDAC1, HDAC5, HDAC11 ALDH1A1 1731/4885MAPT 2607/4885KDM4E 129/4885

“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.