SCHEMBL4422814

SCHEMBL4422814

CC1(C)C(C(=O)Cl)=Nc2ccc3ccccc3c21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
MAPT P10636 4/20 0.37
KDM4E B2RXH2 3/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
THRB P10828 1/20 0.37
APEX1 P27695 1/20 0.37
RECQL P46063 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NR4A1 P22736 1/20 0.34
NR4A2 P43354 1/20 0.34
NR4A3 Q92570 1/20 0.34
PLK1 P53350 1/20 0.34
GAA P10253 2/20 0.34
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
GSK3B P49841 1/20 0.33
ADK P55263 1/20 0.33
WDR5 P61964 1/20 0.33

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
SCHEMBL4417719 0.87 MEN1 (0.60) KMT2AMEN1MAPTKDM4ELMNA
Hydrochloric Acid SCHEMBL4422818 0.85 MEN1 (0.59) KMT2AMEN1MAPTKDM4ELMNA
SCHEMBL29499501 0.74 MEN1 (1.00) KMT2AMEN1MAPTKDM4ELMNA
SCHEMBL31583 0.74 MEN1 (1.00) KMT2AMEN1MAPTKDM4ELMNA
Iodide SCHEMBL29456898 0.73 MEN1 (0.97) KMT2AMEN1MAPTKDM4ELMNA
Iodide SCHEMBL22542621 0.73 MEN1 (0.97) KMT2AMEN1MAPTKDM4ELMNA
Hydrochloric Acid SCHEMBL22321960 0.73 MEN1 (0.97) KMT2AMEN1MAPTKDM4ELMNA
SCHEMBL21795198 0.71 MEN1 (0.64) KMT2AMEN1MAPTKDM4ELMNA
SCHEMBL11947486 0.71 MEN1 (0.64) KMT2AMEN1MAPTKDM4ELMNA
SCHEMBL4415820 0.70 MEN1 (0.62) KMT2AMEN1MAPTKDM4ELMNA

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
EP-1646609-B1 NOVEL CHEMILUMINESCENT COMPOUNDS AND THEIR USE ROCHE DIAGNOSTICS GMBH (DE) 2009-10-14 EP disclosed
EP-1646609-B1 NOVEL CHEMILUMINESCENT COMPOUNDS AND THEIR USE ROCHE DIAGNOSTICS GMBH (DE) 2009-10-14 EP disclosed
US-7262306-B2 Chemiluminescent compounds and their use ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2007-08-28 US disclosed
US-7262306-B2 Chemiluminescent compounds and their use ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2007-08-28 US disclosed
US-20060199223-A1 storage stability; immunoassays ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2006-09-07 US disclosed
EP-1646609-A1 NOVEL CHEMILUMINESCENT COMPOUNDS AND THEIR USE Roche Diagnostics GmbH (DE) 2006-04-19 EP disclosed
WO-2005005385-A1 NOVEL CHEMILUMINESCENT COMPOUNDS AND THEIR USE ROCHE DIAGNOSTICS GMBH (DE) 2005-01-20 WO disclosed
EP-1496050-A1 Novel chemiluminescent compounds and their use Roche Diagnostics GmbH (DE) 2005-01-12 EP 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-20060199223-A1 storage stability; immunoassays SHBG, SELL, XIAP KMT2A 4213/4885MEN1 2683/4885MAPT 1849/4885

“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.