SCHEMBL14720795

SCHEMBL14720795

COc1cc(NC(=O)C(F)(F)F)ccc1Br

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.75
CYP2C9 P11712 1/20 0.75
CYP2C19 P33261 1/20 0.75
GRM4 Q14833 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.49
STAT1 P42224 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 3/20 0.46
LMNA P02545 1/20 0.46
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
ABCC9 O60706 1/20 0.45
ABCC8 Q09428 1/20 0.45
KCNJ11 Q14654 1/20 0.45
KCNJ8 Q15842 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45

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
SCHEMBL7871733 0.88 CYP1A2 (0.75) CYP1A2CYP2C9CYP2C19L3MBTL1SMN1; SMN2
SCHEMBL4440336 0.86 CYP1A2 (1.00) CYP1A2CYP2C9CYP2C19L3MBTL1SMN1; SMN2
SCHEMBL20646201 0.83 CYP1A2 (0.77) CYP1A2CYP2C9CYP2C19GRM4L3MBTL1
SCHEMBL15680117 0.83 CYP2C9 (0.67) CYP1A2CYP2C9CYP2C19L3MBTL1SMN1; SMN2
SCHEMBL19411114 0.82 CYP1A2 (0.75) CYP1A2CYP2C9CYP2C19L3MBTL1SMN1; SMN2
SCHEMBL8112973 0.81 CYP1A2 (0.64) CYP1A2CYP2C9CYP2C19L3MBTL1SMN1; SMN2
SCHEMBL15972268 0.81 GRM4 (0.59) CYP1A2CYP2C9CYP2C19GRM4L3MBTL1
SCHEMBL879728 0.81 GRM4 (0.59) GRM4STAT1SMN1; SMN2MAPTLMNA
SCHEMBL30159535 0.81 GRM4 (0.59) GRM4STAT1SMN1; SMN2MAPTLMNA
SCHEMBL21167297 0.81 CYP1A2 (0.73) CYP1A2CYP2C9CYP2C19L3MBTL1SMN1; SMN2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9944657-B2 Luminescent lanthanide chelates having three chromophores an their use RADIOMETER TURKU OY (FI) 2018-04-17 US disclosed
CN-103890137-B There are three chromophoric luminescent lanthanide chelates and application thereof DHR芬兰公司 2016-08-24 CN disclosed
EP-2753674-B1 LUMINESCENT LANTHANIDE CHELATES HAVING THREE CHROMOPHORES AND THEIR USE DHR FINLAND OY (FI) 2016-02-10 EP disclosed
EP-2753674-B1 LUMINESCENT LANTHANIDE CHELATES HAVING THREE CHROMOPHORES AND THEIR USE DHR FINLAND OY (FI) 2016-02-10 EP disclosed
US-20130210165-A1 Luminescent Lanthanide Chelates Having Three Chromophores and Their Use DHR FINLAND OY (FI) 2013-08-15 US disclosed
US-20130210165-A1 Luminescent Lanthanide Chelates Having Three Chromophores and Their Use DHR FINLAND OY (FI) 2013-08-15 US disclosed
WO-2013026790-A9 LUMINESCENT LANTHANIDE CHELATES HAVING THREE CHROMOPHORES AND THEIR USE DHR FINLAND OY (FI) 2013-05-23 WO disclosed
WO-2013026790-A1 LUMINESCENT LANTHANIDE CHELATES HAVING THREE CHROMOPHORES AND THEIR USE DHR FINLAND OY (FI) 2013-02-28 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 (1 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-20130210165-A1 Luminescent Lanthanide Chelates Having Three Chromophores and Their Use GLB1, SSB, LGALS3BP CYP1A2 3913/4885CYP2C9 3265/4885CYP2C19 3971/4885

“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.