SCHEMBL4433358

SCHEMBL4433358

O=C(NO)c1cc(-c2ccc(CNCCc3ccccc3)cc2)cs1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.58
MMP12 P39900 3/20 0.57
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ATM Q13315 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
SCHEMBL4553069 0.81 HDAC1 (0.59) HDAC1MMP12HDAC8HDAC6MEN1
SCHEMBL8288787 0.79 HDAC1 (0.60) HDAC1HDAC8HDAC6
SCHEMBL14449034 0.79 HDAC1 (0.83) HDAC1
SCHEMBL4433179 0.79 HDAC1 (0.71) HDAC1HDAC8HDAC6
SCHEMBL12663210 0.78 HDAC6 (0.60) HDAC1MMP12HDAC8HDAC6
SCHEMBL14449049 0.78 MMP12 (0.52) HDAC1MMP12HDAC8HDAC6KMT2A
SCHEMBL8288803 0.77 HDAC6 (0.50) HDAC1MMP12HDAC8HDAC6
SCHEMBL6456265 0.77 NPC1 (0.57) MMP12MAPT
SCHEMBL10060315 0.77 GAA (0.80) KDM4EALDH1A1GAAMAPTMEN1
SCHEMBL4423968 0.75 KDM4E (0.60) HDAC1KDM4EALDH1A1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682538-A4 BIARYL LINKED HYDROXAMATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S BIO PTE LTD (SG) 2009-05-27 EP claimed
EP-1682538-A1 BIARYL LINKED HYDROXAMATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*Bio Pte Ltd (SG) 2006-07-26 EP claimed
WO-2005040161-A1 BIARYL LINKED HYDROXAMATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*BIO PTE LTD (SG) 2005-05-06 WO claimed
EP-1682538-A4 BIARYL LINKED HYDROXAMATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S BIO PTE LTD (SG) 2009-05-27 EP disclosed
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
EP-1682538-A1 BIARYL LINKED HYDROXAMATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*Bio Pte Ltd (SG) 2006-07-26 EP disclosed
WO-2005040161-A1 BIARYL LINKED HYDROXAMATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*BIO PTE LTD (SG) 2005-05-06 WO 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 HDAC1 1/4885MMP12 429/4885KDM4E 454/4885

“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.