SCHEMBL6507771

SCHEMBL6507771

O=C(NO)c1cc2cc(NS(=O)(=O)CCc3cccc4ccccc34)ccc2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.46
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.44
NPC1 O15118 7/20 0.40
RAB9A P51151 7/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
HPGD P15428 2/20 0.40
HDAC6 Q9UBN7 3/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC4 P56524 1/20 0.39
F12 P00748 1/20 0.39
TP53 P04637 4/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
NLRP3 Q96P20 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL6507327 0.80 ALDH1A1 (0.42) KDM4EALDH1A1MAPTGAANPC1
SCHEMBL6508983 0.79 HDAC1 (0.58) HTR6HDAC6HDAC1HDAC4
SCHEMBL6511799 0.77 HDAC1 (0.66) HTR6HDAC6HDAC1HDAC4
SCHEMBL6506633 0.71 RAB9A (0.74) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL7657446 0.69 MAPT (0.53) HTR6KDM4EALDH1A1MAPTGAA
SCHEMBL6509267 0.69 BCAT1 (0.50) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL28891069 0.68 NPC1 (0.68) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL13485789 0.68 NPC1 (0.68) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL6510021 0.68 KDM4E (0.60) KDM4EHDAC6HDAC1HDAC4
SCHEMBL6510137 0.67 MEN1 (0.60) MAPTNPC1RAB9ASMN1; SMN2HPGD

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 4 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
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 HTR6 4029/4885KDM4E 129/4885ALDH1A1 1731/4885

“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.