SCHEMBL50225

SCHEMBL50225

COc1cc2ccc(OC)c(OC)c2cc1I

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
CYP3A4 P08684 4/20 0.47
TDO2 P48775 7/20 0.45
IDO1 P14902 6/20 0.45
CDC42 P60953 2/20 0.41
RAC1 P63000 2/20 0.41
MAOA P21397 3/20 0.41
KDM4E B2RXH2 3/20 0.41
ABL1 P00519 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
APEX1 P27695 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
CDK5 Q00535 1/20 0.41
MCL1 Q07820 1/20 0.41
RIN1 Q13671 1/20 0.41
CDK5R1 Q15078 1/20 0.41
SAE1 Q9UBE0 1/20 0.41

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
SCHEMBL10034504 0.86 TUBB1 (0.44) MAPTCYP3A4TDO2IDO1MAOA
SCHEMBL13851884 0.84 RAC1 (0.51) MAPTCYP3A4TDO2IDO1CDC42
SCHEMBL21255664 0.79 TUBB4A (0.51) MAPTCYP3A4TDO2IDO1CDC42
SCHEMBL28273079 0.78 TDO2 (0.45) MAPTCYP3A4TDO2IDO1CDC42
SCHEMBL30159700 0.76 MAPT (0.55) MAPTCYP3A4TDO2IDO1CDC42
SCHEMBL28660364 0.76 MAPT (0.55) MAPTCYP3A4TDO2IDO1CDC42
SCHEMBL3631528 0.76 NQO1 (0.64) MAPTCYP3A4TDO2IDO1CDC42
SCHEMBL29485688 0.76 NQO1 (0.64) MAPTCYP3A4TDO2IDO1CDC42
SCHEMBL7451011 0.74 NQO1 (0.62) MAPTCYP3A4TDO2IDO1CDC42
SCHEMBL6891367 0.74 NQO1 (0.62) MAPTCYP3A4TDO2IDO1CDC42

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3653210-A1 TREATMENT OF DYSKINESIA RELATED DISORDERS H. Lundbeck A/S (DK) 2020-05-20 EP disclosed
EP-3653210-A1 TREATMENT OF DYSKINESIA RELATED DISORDERS H. Lundbeck A/S (DK) 2020-05-20 EP disclosed
EP-2400967-B1 TREATMENT OF DYSKINESIA RELATED DISORDERS H LUNDBECK AS (DK) 2019-08-14 EP disclosed
EP-2400967-B1 TREATMENT OF DYSKINESIA RELATED DISORDERS H LUNDBECK AS (DK) 2019-08-14 EP disclosed
EP-3009437-A1 A CATECHOLAMINE DERIVATIVE USEFUL FOR THE TREATMENT OF PARKINSON'S DISEASE H. Lundbeck A/S (DK) 2016-04-20 EP disclosed
EP-3009437-A1 A CATECHOLAMINE DERIVATIVE USEFUL FOR THE TREATMENT OF PARKINSON'S DISEASE H. Lundbeck A/S (DK) 2016-04-20 EP disclosed
EP-2197883-B1 Catecholamine derivative useful for the treatment of parkinson's disease LUNDBECK & CO AS H (DK) 2015-11-18 EP disclosed
EP-2197883-B1 Catecholamine derivative useful for the treatment of parkinson's disease LUNDBECK & CO AS H (DK) 2015-11-18 EP disclosed
EP-2662358-A1 Catecholamine derivatives and prodrugs thereof H. Lundbeck A/S (DK) 2013-11-13 EP disclosed
EP-2662358-A1 Catecholamine derivatives and prodrugs thereof H. Lundbeck A/S (DK) 2013-11-13 EP disclosed
US-20090124651-A1 CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF H. LUNDBECK A/S (DK) 2009-05-14 US disclosed
US-20090124651-A1 CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF H. LUNDBECK A/S (DK) 2009-05-14 US disclosed
US-20090124651-A1 CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF H. LUNDBECK A/S (DK) 2009-05-14 US disclosed
US-20090062324-A1 CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF H. LUNDBECK A/S (DK) 2009-03-05 US disclosed
US-20090062324-A1 CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF H. LUNDBECK A/S (DK) 2009-03-05 US disclosed
US-20090062324-A1 CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF H. LUNDBECK A/S (DK) 2009-03-05 US disclosed
WO-2009026935-A1 CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF H. LUNDBECK A/S (DK) 2009-03-05 WO disclosed
WO-2009026934-A1 CATECHOLAMINE DERIVATIVES USEFUL FOR THE TREATMENT OF PARKINSON' S DISEASE H. LUNDBECK A/S (DK) 2009-03-05 WO disclosed
WO-2009026934-A1 CATECHOLAMINE DERIVATIVES USEFUL FOR THE TREATMENT OF PARKINSON' S DISEASE H. LUNDBECK A/S (DK) 2009-03-05 WO disclosed
WO-2009026935-A1 CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF H. LUNDBECK A/S (DK) 2009-03-05 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-20090124651-A1 CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF COMT, ADRB3, ADRB1 MAPT 1508/4885CYP3A4 29/4885TDO2 243/4885
US-20090062324-A1 CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF COMT, ADRB3, ADRB1 MAPT 1508/4885CYP3A4 29/4885TDO2 243/4885

“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.