SCHEMBL1608786

SCHEMBL1608786

O=C(c1sc2c([N+](=O)[O-])c(O)c(O)cc2c1Cl)N1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
COMT P21964 11/20 0.61
ALDH1A1 P00352 5/20 0.56
HPGD P15428 4/20 0.56
MAPT P10636 2/20 0.56
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSP90AA1 P07900 1/20 0.38
FTO Q9C0B1 1/20 0.38

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
SCHEMBL1608348 0.89 COMT (0.59) COMTALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL1608688 0.88 COMT (0.58) COMTALDH1A1HPGDMAPTMEN1
SCHEMBL1608921 0.82 COMT (0.59) COMTALDH1A1HPGDMAPTMEN1
SCHEMBL1608186 0.80 COMT (0.73) COMTALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL1608760 0.76 COMT (0.48) COMTALDH1A1HPGDMEN1KMT2A
SCHEMBL1609327 0.74 COMT (0.69) COMTALDH1A1HPGDMAPTKMT2A
SCHEMBL1608934 0.74 COMT (0.83) COMTMAPTMEN1KMT2A
SCHEMBL1608790 0.73 COMT (0.43) COMTALDH1A1HPGDSMN1; SMN2
SCHEMBL3365763 0.72 COMT (0.65) COMTALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL3454727 0.72 ALDH1A1 (1.00) ALDH1A1HPGDMAPTMEN1KMT2A

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
EP-1910325-A2 NEW PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2008-04-16 EP claimed
WO-2007010085-A2 NEW PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2007-01-25 WO 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

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 1/4885ALDH1A1 65/4885HPGD 163/4885
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, CYP3A4 COMT 1/4885ALDH1A1 233/4885HPGD 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.