SCHEMBL3614849

SCHEMBL3614849

CC(C)([CH]c1noc(-c2ccccc2)n1)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC8 Q9BY41 1/20 0.44
NR1H4 Q96RI1 3/20 0.42
CASP3 P42574 4/20 0.41
SENP7 Q9BQF6 4/20 0.41
SENP8 Q96LD8 3/20 0.41
SENP6 Q9GZR1 3/20 0.41
NOTUM Q6P988 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
IKBKB O14920 1/20 0.38

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
SCHEMBL1609658 0.80 SMN1; SMN2 (0.41) CASP3NPC1RAB9ANFKB1NFKB2
SCHEMBL3616242 0.75 RAB9A (0.49) NR1H4CASP3SENP7SENP8SENP6
SCHEMBL3614850 0.73 NOTUM (0.56) HDAC1HDAC6HDAC8NR1H4NOTUM
SCHEMBL14562709 0.72 NR1H4 (0.57) HDAC1HDAC6HDAC8NR1H4CASP3
SCHEMBL18606702 0.69 HDAC1 (0.68) HDAC1HDAC6HDAC8NR1H4NOTUM
SCHEMBL13040681 0.69 HDAC6 (0.62) HDAC1HDAC6HDAC8NR1H4NOTUM
SCHEMBL2094067 0.68 NR1H4 (0.52) HDAC1HDAC6HDAC8NR1H4CASP3
SCHEMBL513481 0.67 GPR119 (0.43) HDAC1HDAC6HDAC8
SCHEMBL3618510 0.67 HDAC6 (0.42) HDAC1HDAC6HDAC8NR1H4NOTUM
SCHEMBL14959517 0.66 HDAC6 (0.68) HDAC1HDAC6HDAC8NR1H4NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035943-A1 Oxa-and thiadiazoles and their use as metalloproteinase inhibitors VERNALIS (OXFORD) LTD (GB) 2010-02-11 US disclosed
US-20080227833-A1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS VERNALIS (OXFORD) LTD (GB) 2008-09-18 US disclosed
US-7358265-B2 Oxa-and thiadiazoles and their use as metalloproteinase inhibitors VERNALIS (R&D) LTD 2008-04-15 US disclosed
US-20050222189-A1 Oxa-and thiadiazoles and their use as metalloproteinase inhibitors VERNALIS (OXFORD) LTD (GB) 2005-10-06 US disclosed
WO-2004101537-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LTD (GB) 2004-11-25 WO disclosed
EP-1476438-A1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS Vernalis (Oxford) Ltd (GB) 2004-11-17 EP disclosed
WO-2003070711-A1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS VERNALIS (OXFORD) LTD (GB) 2003-08-28 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 (3 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-20050222189-A1 Oxa-and thiadiazoles and their use as metalloproteinase inhibitors MMP9, TIMP3, MMP13 HDAC1 73/4885HDAC6 310/4885HDAC8 319/4885
US-20100035943-A1 Oxa-and thiadiazoles and their use as metalloproteinase inhibitors MMP12, TIMP3, MMP9 HDAC1 451/4885HDAC6 829/4885HDAC8 1229/4885
US-20080227833-A1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS MMP12, TIMP3, MMP9 HDAC1 451/4885HDAC6 829/4885HDAC8 1229/4885

“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.