SCHEMBL4415865

SCHEMBL4415865

CC1(C)c2c(ccc3ccccc23)NC1C(Br)Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
MAPT P10636 8/20 0.35
KDM4E B2RXH2 6/20 0.35
LMNA P02545 4/20 0.35
TDP1 Q9NUW8 3/20 0.35
HTT P42858 3/20 0.35
THRB P10828 1/20 0.35
APEX1 P27695 1/20 0.35
RECQL P46063 1/20 0.35
POLB P06746 4/20 0.35
GAA P10253 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NOX1 Q9Y5S8 1/20 0.35
NPSR1 Q6W5P4 3/20 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
SCHEMBL1305294 0.81 MEN1 (0.42) ALDH1A1CYP1A2MEN1KMT2AMAPT
SCHEMBL4417724 0.72 NR4A1 (0.40) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL28783429 0.71 KDM4E (0.37) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL18590886 0.69 MEN1 (0.33) ALDH1A1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL22175514 0.68 MEN1 (0.49) ALDH1A1CYP1A2MEN1KMT2AMAPT
SCHEMBL12775945 0.66 POLB (0.33) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL650304 0.64 SIRT2 (0.39) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL1506854 0.62 POLB (0.42) ALDH1A1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL7906187 0.62 MEN1 (0.44) ALDH1A1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL15119748 0.61 PDK2 (0.46) ALDH1A1CYP1A2MEN1KMT2AMAPT

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 4 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
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-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 ALDH1A1 128/4885CYP1A2 1596/4885CYP2C9 1922/4885

“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.