SCHEMBL8288803

SCHEMBL8288803

O=C(NO)c1cc(-c2ccc(CNCCC3CCCCC3)cc2)cs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.50
MMP12 P39900 5/20 0.45
SLC6A4 P31645 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CXCR4 P61073 2/20 0.41
SIGMAR1 Q99720 1/20 0.40
HTR5A P47898 2/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR2A P28223 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
SCHEMBL14449049 0.79 MMP12 (0.52) HDAC6MMP12HDAC1HDAC8
SCHEMBL4433358 0.77 HDAC1 (0.58) HDAC6MMP12HDAC1HDAC8
SCHEMBL1348267 0.72 MEN1 (0.48) HDAC6SLC6A4CXCR4SIGMAR1
SCHEMBL14449047 0.71 MMP13 (0.49) HDAC6NPC1RAB9A
SCHEMBL1347674 0.70 OPRM1 (0.48) HDAC6SLC6A4HDAC1SIGMAR1
SCHEMBL6457597 0.70 HDAC4 (0.56) HDAC6MMP12HDAC1HDAC4HDAC3
SCHEMBL4553069 0.69 HDAC1 (0.59) HDAC6MMP12HDAC1HDAC4HDAC3
SCHEMBL6450858 0.68 HDAC6 (0.57) HDAC6MMP12HDAC1HDAC4HDAC3
SCHEMBL23023177 0.68 SIGMAR1 (0.77) NPC1RAB9ASIGMAR1
SCHEMBL23023029 0.68 SIGMAR1 (0.77) NPC1RAB9ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070167499-A1 Biaryl linked hydroxamates: preparation and pharmaceutical applications A*BIO PTE LTD. (SG) 2007-07-19 US disclosed
US-20070167499-A1 Biaryl linked hydroxamates: preparation and pharmaceutical applications A*BIO PTE LTD. (SG) 2007-07-19 US disclosed
WO-2005040161-A1 BIARYL LINKED HYDROXAMATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*BIO PTE LTD (SG) 2005-05-06 WO 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-20070167499-A1 Biaryl linked hydroxamates: preparation and pharmaceutical applications HDAC1, HDAC11, HDAC2 HDAC6 15/4885MMP12 429/4885SLC6A4 3718/4885

“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.