SCHEMBL2562647

SCHEMBL2562647

CC(C)=C1C2C=CC1c1c(Br)cccc12

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYBB P04839 1/20 0.32
NOX5 Q96PH1 1/20 0.32
NOX1 Q9Y5S8 1/20 0.32

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
SCHEMBL15214740 1.00 CYBB (0.32) CYBBNOX5NOX1
SCHEMBL14682739 0.86 CYBB (0.31) CYBBNOX5NOX1
SCHEMBL12287461 0.82 KDM1A (0.31)
SCHEMBL2562384 0.79 CACNB4 (0.35)
SCHEMBL440184 0.79 CYP3A4 (0.31)
SCHEMBL4601117 0.76 POLB (0.33)
SCHEMBL10098744 0.75
SCHEMBL12855001 0.70 MEN1 (0.33)
SCHEMBL14682738 0.67 CACNB4 (0.34)
SCHEMBL14682734 0.67 ALDH1A1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2316809-B1 Process for the preparation of benzonorbornane derivatives SYNGENTA PARTICIPATIONS AG (CH) 2014-06-18 EP disclosed
EP-2560960-B1 PROCESS FOR THE PREPARATION OF PYRAZOLE CARBOXYLIC ACID AMIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-02-26 EP disclosed
US-8524915-B2 Process for the preparation of pyrazole carboxylic acid amides SYNGENTA CROP PROTECTION LLC (US) 2013-09-03 US disclosed
US-8524915-B2 Process for the preparation of pyrazole carboxylic acid amides SYNGENTA CROP PROTECTION LLC (US) 2013-09-03 US disclosed
US-8524915-B2 Process for the preparation of pyrazole carboxylic acid amides SYNGENTA CROP PROTECTION LLC (US) 2013-09-03 US disclosed
EP-2316813-B1 Process for the preparation of amines SYNGENTA PARTICIPATIONS AG (CH) 2013-04-03 EP disclosed
EP-2560960-A1 PROCESS FOR THE PREPARATION OF PYRAZOLE CARBOXYLIC ACID AMIDES Syngenta Participations AG (CH) 2013-02-27 EP disclosed
US-20130041160-A1 PROCESS FOR THE PREPARATION OF PYRAZOLE CARBOXYLIC ACID AMIDES SYNGENTA CROP PROTECTION LLC (US) 2013-02-14 US disclosed
US-20130041160-A1 PROCESS FOR THE PREPARATION OF PYRAZOLE CARBOXYLIC ACID AMIDES SYNGENTA CROP PROTECTION LLC (US) 2013-02-14 US disclosed
US-20130041160-A1 PROCESS FOR THE PREPARATION OF PYRAZOLE CARBOXYLIC ACID AMIDES SYNGENTA CROP PROTECTION LLC (US) 2013-02-14 US disclosed
WO-2011131544-A1 PROCESS FOR THE PREPARATION OF PYRAZOLE CARBOXYLIC ACID AMIDES SYNGENTA PARTICIPATIONS AG (CH) 2011-10-27 WO disclosed
US-7781615-B2 Process for the preparation of amines SYNGENTA CROP PROTECTION, INC. (US) 2010-08-24 US disclosed
US-20090221856-A1 PROCESS FOR THE PREPARATION OF AMINES SYNGENTA CROP PROTECTION, INC. (US) 2009-09-03 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-20090221856-A1 PROCESS FOR THE PREPARATION OF AMINES HRH3, PAH, C1R CYBB 871/4885NOX5 644/4885NOX1 461/4885
US-20130041160-A1 PROCESS FOR THE PREPARATION OF PYRAZOLE CARBOXYLIC ACID AMIDES CBR3, F12, CBR1 CYBB 347/4885NOX5 397/4885NOX1 260/4885

“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.