SCHEMBL1609327

SCHEMBL1609327

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

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
COMT P21964 15/20 0.69
CD274 Q9NZQ7 1/20 0.46
HPGD P15428 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FTO Q9C0B1 2/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
GAA P10253 1/20 0.35
HTT P42858 1/20 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
SCHEMBL3363596 0.83 COMT (0.60) COMTKMT2ASMN1; SMN2FTO
SCHEMBL1608934 0.81 COMT (0.83) COMTKMT2AMAPT
SCHEMBL1608186 0.81 COMT (0.73) COMTCYP1A2CYP2C19ALDH1A1
SCHEMBL1608305 0.78 COMT (0.46) COMTCD274HPGDCYP1A2CYP2C9
SCHEMBL1608786 0.74 COMT (0.61) COMTHPGDCYP1A2CYP2C19KMT2A
SCHEMBL3365763 0.73 COMT (0.65) COMTCYP1A2CYP2C19ALDH1A1
SCHEMBL3364756 0.73 COMT (0.61) COMTKMT2A
SCHEMBL1608881 0.73 COMT (0.64) COMTCYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL1608348 0.72 COMT (0.59) COMTHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL1608782 0.72 COMT (0.68) COMTKMT2AALDH1A1MAPTHSP90AA1

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
EP-2542220-A2 USE OF LEVODOPA, CARBIDOPA AND ENTACAPONE FOR TREATING PARKINSON'S DISEASE Orion Corporation (FI) 2013-01-09 EP disclosed
US-8318785-B2 Pharmaceutical compounds ORION CORPORATION (FI) 2012-11-27 US disclosed
WO-2011107653-A2 METHOD FOR TREATING PARKINSON'S DISEASE ORION CORPORATION (FI) 2011-09-09 WO 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

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 1/4885CD274 4764/4885HPGD 163/4885
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, CYP3A4 COMT 1/4885CD274 4173/4885HPGD 611/4885

“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.