SCHEMBL1608186

SCHEMBL1608186

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

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
COMT P21964 11/20 0.73
CDK2 P24941 2/20 0.44
MCL1 Q07820 2/20 0.39
BCKDK O14874 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
GPR35 Q9HC97 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
SCHEMBL1608881 0.82 COMT (0.64) COMTCDK2RXFP1CYP1A2CYP2D6
SCHEMBL1609342 0.82 COMT (0.60) COMTALDH1A1
SCHEMBL1608934 0.81 COMT (0.83) COMT
SCHEMBL1609327 0.81 COMT (0.69) COMTALDH1A1CYP1A2CYP2C19
SCHEMBL1608786 0.80 COMT (0.61) COMTALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL3365763 0.80 COMT (0.65) COMTCDK2ALDH1A1CYP1A2CYP2D6
SCHEMBL1608458 0.79 COMT (0.57) COMTALDH1A1
SCHEMBL1608348 0.79 COMT (0.59) COMTALDH1A1
SCHEMBL1608688 0.78 COMT (0.58) COMTCDK2ALDH1A1CYP1A2CYP2D6
SCHEMBL1608964 0.78 COMT (0.46) COMTCDK2MCL1BCKDKRXFP1

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 15 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-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 1/4885CDK2 296/4885MCL1 3810/4885
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, CYP3A4 COMT 1/4885CDK2 447/4885MCL1 4587/4885

“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.