SCHEMBL1608458

SCHEMBL1608458

O=C(O)c1cccc(NC(=O)c2sc3c([N+](=O)[O-])c(O)c(O)cc3c2Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
COMT P21964 11/20 0.57
MAPT P10636 3/20 0.43
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
PAX8 Q06710 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MALT1 Q9UDY8 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
THRB P10828 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
SCHEMBL1608881 0.90 COMT (0.64) COMTMAPTNPC1PKMRAB9A
SCHEMBL1609342 0.89 COMT (0.60) COMTMEN1KMT2AALDH1A1
SCHEMBL1608782 0.80 COMT (0.68) COMTMAPTNPC1PKMRAB9A
SCHEMBL30592877 0.80 COMT (0.68) COMTMAPTNPC1PKMRAB9A
SCHEMBL1608186 0.79 COMT (0.73) COMTALDH1A1
SCHEMBL3362922 0.73 COMT (0.55) COMTMAPTPKMMEN1KMT2A
SCHEMBL1608934 0.68 COMT (0.83) COMTMAPTRAB9AMEN1KMT2A
SCHEMBL1609327 0.68 COMT (0.69) COMTMAPTKMT2AALDH1A1GAA
SCHEMBL1608786 0.68 COMT (0.61) COMTMAPTMEN1KMT2AALDH1A1
SCHEMBL3365763 0.67 COMT (0.65) 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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101282957-B New pharmaceutical compounds ORION CORP 2013-07-10 CN claimed
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
CN-101282957-A New pharmaceutical compounds ORION CORP (FI) 2008-10-08 CN 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
CN-102781424-B Levodopa, carbidopa and entacapone are used for the treatment of Parkinsonian application ORION CORP. (FI) 2016-03-30 CN 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
CN-102781424-A Use of levodopa, carbidopa and entacapone for treating parkinson's disease ORION CORP 2012-11-14 CN 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
CN-101282957-A New pharmaceutical compounds ORION CORP (FI) 2008-10-08 CN 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 1/4885MAPT 1148/4885NPC1 558/4885
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, CYP3A4 COMT 1/4885MAPT 2131/4885NPC1 1824/4885

“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.