SCHEMBL1608348

SCHEMBL1608348

O=C(c1sc2c([N+](=O)[O-])c(O)c(O)cc2c1Cl)N1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
COMT P21964 11/20 0.59
HPGD P15428 2/20 0.58
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 2/20 0.41
HSP90AA1 P07900 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL1608786 0.89 COMT (0.61) COMTHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL1608760 0.87 COMT (0.48) COMTHPGDALDH1A1SMN1; SMN2GAA
SCHEMBL1608688 0.86 COMT (0.58) COMTHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL1608790 0.84 COMT (0.43) COMTHPGDALDH1A1SMN1; SMN2GAA
SCHEMBL1608806 0.83 HPGD (0.58) COMTHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL1608921 0.82 COMT (0.59) COMTHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL1608198 0.82 HPGD (0.51) COMTHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL1608153 0.80 HPGD (0.47) COMTHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL1608182 0.79 HPGD (0.47) COMTHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL1608186 0.79 COMT (0.73) COMTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318785-B2 Pharmaceutical compounds ORION CORPORATION (FI) 2012-11-27 US claimed
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2011-04-14 US claimed
EP-1910325-B1 NEW PHARMACEUTICAL COMPOUNDS ORION CORP (FI) 2010-10-06 EP claimed
US-20090209532-A1 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2009-08-20 US claimed
US-12521363-B2 Use of levodopa, carbidopa and entacapone for treating Parkinson's disease ORION CORPORATION (FI) 2026-01-13 US disclosed
US-20240050394-A1 USE OF LEVODOPA, CARBIDOPA AND ENTACAPONE FOR TREATING PARKINSON'S DISEASE ORION CORP (FI) 2024-02-15 US disclosed
US-11771675-B2 Use of levodopa, carbidopa and entacapone for treating Parkinson's disease ORION CORPORATION (FI) 2023-10-03 US disclosed
US-20210085635-A1 USE OF LEVODOPA, CARBIDOPA AND ENTACAPONE FOR TREATING PARKINSON'S DISEASE ORION CORPORATION (FI) 2021-03-25 US disclosed
US-10857120-B2 Use of levodopa, carbidopa and entacapone for treating Parkinson's disease ORION CORPORATION (FI) 2020-12-08 US disclosed
EP-2542220-B1 USE OF LEVODOPA, CARBIDOPA AND ENTACAPONE FOR TREATING PARKINSON'S DISEASE ORION CORP (FI) 2016-11-02 EP disclosed
US-20150150839-A1 USE OF LEVODOPA, CARBIDOPA AND ENTACAPONE FOR TREATING PARKINSON'S DISEASE ORION CORPORATION (FI) 2015-06-04 US disclosed
US-20130137729-A1 USE OF LEVODOPA, CARBIDOPA AND ENTACAPONE FOR TREATING PARKINSON'S DISEASE ORION CORPORATION (FI) 2013-05-30 US disclosed
US-8318785-B2 Pharmaceutical compounds ORION CORPORATION (FI) 2012-11-27 US disclosed
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2011-04-14 US disclosed
EP-1910325-B1 NEW PHARMACEUTICAL COMPOUNDS ORION CORP (FI) 2010-10-06 EP disclosed
US-20090209532-A1 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2009-08-20 US disclosed
EP-1910325-A2 NEW PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2008-04-16 EP disclosed
WO-2007010085-A2 NEW PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2007-01-25 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 (2 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-20090209532-A1 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, UGT1A1 COMT 1/4885HPGD 163/4885ALDH1A1 65/4885
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, CYP3A4 COMT 1/4885HPGD 611/4885ALDH1A1 233/4885

“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.