SCHEMBL1819784

SCHEMBL1819784

Brc1ccc2c(c1)C1C=CC2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 10/20 0.41
KDM1B Q8NB78 2/20 0.41
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 1/20 0.34
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
CYP1A2 P05177 1/20 0.32
MAPK1 P28482 1/20 0.32
SRD5A1 P18405 1/20 0.32
KCNH2 Q12809 1/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL15428151 0.75 KDM1A (0.30) KDM1AKDM1BKCNH2
SCHEMBL31590344 0.75 KDM1A (0.30) KDM1AKDM1BKCNH2
SCHEMBL4406720 0.73 CHRNB2 (0.47) KDM1AKDM1BCA1CA2HTR2A
SCHEMBL853286 0.69 CHRNB4 (0.40) KDM1AKDM1BHTR2ASLC6A2
SCHEMBL11526900 0.68 CHRNA1 (0.51) NOS3NOS1NOS2SLC6A2SLC6A4
SCHEMBL11527764 0.68 CHRNB2 (0.53) KDM1ACA1CA2HTR2AHTR2C
SCHEMBL1819320 0.68 KDM1A (0.41) KDM1AKDM1BNOS3NOS1NOS2
SCHEMBL20627668 0.68 KDM1A (0.41) KDM1AKDM1BNOS3NOS1NOS2
SCHEMBL25934423 0.67 KDM1A (0.37) KDM1AKDM1BKCNH2
SCHEMBL5380020 0.67 KDM4E (0.35) KDM1ACA1CA2HTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021078217-A1 TETRACENE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 中国科学院化学研究所 2021-04-29 WO disclosed
EP-2560959-B1 PROCESS FOR THE PREPARATION OF PYRAZOLE CARBOXYLIC ACID AMIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-08-20 EP disclosed
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-8519152-B2 Process for the preparation of pyrazole carboxylic acid amides SYNGENTA CROP PROTECTION LLC (US) 2013-08-27 US 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-20130035496-A1 PROCESS FOR THE PREPARATION OF PYRAZOLE CARBOXYLIC ACID AMIDES SYNGENTA CROP PROTECTION LLC (US) 2013-02-07 US disclosed
EP-1963251-B1 PROCESS FOR THE PREPARATION OF AMINES SYNGENTA PARTICIPATIONS AG (CH) 2012-08-15 EP disclosed
WO-2011131544-A1 PROCESS FOR THE PREPARATION OF PYRAZOLE CARBOXYLIC ACID AMIDES SYNGENTA PARTICIPATIONS AG (CH) 2011-10-27 WO disclosed
EP-2316814-A1 Process for preparation of halogen substituted benzonorbornenes derivatives Syngenta Participations AG (CH) 2011-05-04 EP disclosed
EP-2316813-A1 Process for the preparation of amines Syngenta Participations AG (CH) 2011-05-04 EP disclosed
EP-2316809-A1 Process for the preparation of benzonorbornane derivatives Syngenta Participations AG (CH) 2011-05-04 EP disclosed
EP-2316815-A1 Process for preparation of halogen substituted arynes Syngenta Participations AG (CH) 2011-05-04 EP 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
EP-1963251-A2 PROCESS FOR THE PREPARATION OF AMINES Syngeta Participations AG (CH) 2008-09-03 EP disclosed
WO-2007068417-A2 PROCESS FOR THE PREPARATION OF AMINES SYNGENTA PARTICIPATIONS AG (CH) 2007-06-21 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 (3 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-20130035496-A1 PROCESS FOR THE PREPARATION OF PYRAZOLE CARBOXYLIC ACID AMIDES F5, F12, F9 KDM1A 3085/4885KDM1B 3521/4885CA1 54/4885
US-20090221856-A1 PROCESS FOR THE PREPARATION OF AMINES HRH3, PAH, C1R KDM1A 272/4885KDM1B 161/4885CA1 2150/4885
US-20130041160-A1 PROCESS FOR THE PREPARATION OF PYRAZOLE CARBOXYLIC ACID AMIDES CBR3, F12, CBR1 KDM1A 1903/4885KDM1B 1519/4885CA1 150/4885

“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.