SCHEMBL633096

SCHEMBL633096

O=C1COc2ccc(I)cc2N1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.65
PARP1 P09874 3/20 0.59
ALDH1A1 P00352 6/20 0.56
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MAPT P10636 4/20 0.54
NR3C2 P08235 4/20 0.52
PKM P14618 2/20 0.51
GAA P10253 2/20 0.50
HPGD P15428 1/20 0.49
BRAF P15056 1/20 0.47
NR3C1 P04150 1/20 0.47
PGR P06401 1/20 0.47
LMNA P02545 1/20 0.47
PDE3B Q13370 1/20 0.47
PDE3A Q14432 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
SCHEMBL8006749 0.86 MMP12 (0.51) MMP12PARP1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL30799148 0.86 MMP12 (0.51) MMP12PARP1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL30343101 0.79 MMP12 (0.65) MMP12PARP1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL279594 0.79 MMP12 (1.00) MMP12PARP1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL30015279 0.79 MMP12 (0.65) MMP12PARP1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL861110 0.79 MMP12 (0.65) MMP12PARP1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL707058 0.79 MMP12 (0.65) MMP12PARP1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL277585 0.79 MMP12 (0.65) MMP12PARP1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL302933 0.79 MMP12 (0.65) MMP12PARP1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4137452 0.79 MMP12 (0.65) MMP12PARP1ALDH1A1KMT2ASMN1; SMN2

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
WO-2017049409-A1 COMPOSITIONS FOR PROMOTING READTHROUGH OF PREMATURE TERMINATION CODONS, AND METHODS OF USING THE SAME THE CENTRE FOR DRUG RESEARCH AND DEVELOPMENT (CA) 2017-03-30 WO disclosed
EP-2905283-B1 Oxazolidinone antibiotics ACTELION PHARMACEUTICALS LTD (CH) 2016-12-14 EP disclosed
US-9505750-B2 5-aminocyclylmethyl-oxazolidin-2-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-11-29 US disclosed
EP-2245028-B1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-02-22 EP disclosed
US-20110003789-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2011-01-06 US disclosed
EP-2245028-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-11-03 EP disclosed
WO-2009077989-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 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-20110003789-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES CNKSR1, KCNH1, CBR3 MMP12 3915/4885PARP1 1013/4885ALDH1A1 2633/4885

“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.