SCHEMBL1609658

SCHEMBL1609658

CC(C)([CH]c1noc(-c2ccco2)n1)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.41
TP53 P04637 6/20 0.41
MAPK1 P28482 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
NPC1 O15118 10/20 0.41
RAB9A P51151 9/20 0.41
TSHR P16473 6/20 0.41
CASP3 P42574 1/20 0.40
HSD17B10 Q99714 5/20 0.39
POLB P06746 2/20 0.39
PKM P14618 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 4/20 0.38
RECQL P46063 1/20 0.36
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35

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
SCHEMBL3614849 0.80 HDAC1 (0.44) SMN1; SMN2TP53NFKB1NFKB2RELA
SCHEMBL1609660 0.75 SMN1; SMN2 (0.42) SMN1; SMN2TP53MAPK1MEN1KMT2A
SCHEMBL15330576 0.74 NPC1 (0.51) SMN1; SMN2TP53MAPK1MEN1KMT2A
SCHEMBL77103 0.68 RAB9A (0.51) SMN1; SMN2TP53MAPK1MEN1KMT2A
SCHEMBL5660084 0.66 RAB9A (0.56) SMN1; SMN2TP53MAPK1MEN1KMT2A
SCHEMBL12171145 0.63 CASP3 (0.67) SMN1; SMN2TP53MAPK1MEN1KMT2A
SCHEMBL5660080 0.63 RAB9A (0.56) SMN1; SMN2TP53MAPK1MEN1KMT2A
SCHEMBL91494 0.62 RAB9A (0.51) SMN1; SMN2TP53MAPK1MEN1KMT2A
SCHEMBL12385450 0.62 RAB9A (0.51) SMN1; SMN2TP53MAPK1MEN1KMT2A
SCHEMBL512093 0.61 NPC1 (0.41) SMN1; SMN2TP53MAPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086893-A1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS VERNALIS (OXFORD) LTD (GB) 2011-04-14 US disclosed
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 (4 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 SMN1; SMN2 2499/4885TP53 3044/4885MAPK1 1679/4885
US-20100035943-A1 Oxa-and thiadiazoles and their use as metalloproteinase inhibitors MMP12, TIMP3, MMP9 SMN1; SMN2 3288/4885TP53 4703/4885MAPK1 2030/4885
US-20080227833-A1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS MMP12, TIMP3, MMP9 SMN1; SMN2 3288/4885TP53 4703/4885MAPK1 2030/4885
US-20110086893-A1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS MMP12, TIMP3, MMP9 SMN1; SMN2 3288/4885TP53 4703/4885MAPK1 2030/4885

“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.