SCHEMBL1673285

SCHEMBL1673285

C1=NOC2=Cc3ccc4ccccc4c3CC2=C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
CYP1A2 P05177 1/20 0.33
GLA P06280 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.32
ANPEP P15144 1/20 0.31
CES1 P23141 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
SCHEMBL7094614 0.69 HSD17B10 (0.38) KDM4ECYP1A2GLACYP2C9HPGD
SCHEMBL29748869 0.69 ALDH1A1 (0.38) KDM4ECYP1A2GLACYP2C9HPGD
SCHEMBL3056466 0.65 ALDH1A1 (0.41) KDM4ECYP1A2GLACYP2C9HPGD
Lithium SCHEMBL29650601 0.64 CYP2A6 (0.39) KDM4ECYP1A2GLACYP2C9HPGD
SCHEMBL5657362 0.64 WDR5 (0.43) KDM4ECA12CA9CYP1A2GLA
SCHEMBL29749091 0.64 ALDH1A1 (0.39) KDM4ECYP1A2HPGDCYP2C19HSD17B10
SCHEMBL7094272 0.62 ABCG2 (0.40) KDM4ECYP1A2CYP2C9HPGDCYP2C19
SCHEMBL994781 0.61 CES1 (0.47) KDM4ECYP1A2GLACYP2C9HPGD
Hydrochloric Acid SCHEMBL25188850 0.60 CES1 (0.46) KDM4ECYP1A2GLACYP2C9HPGD
SCHEMBL8519871 0.59 ALDH1A1 (0.33) KDM4ECYP1A2GLACYP2C9HPGD

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4741170-B2 2011-08-03 JP claimed
US-20100304381-A1 FLUORESCENT NUCLEOBASE CONJUGATES HAVING ANIONIC LINKERS Life Technologies Corporation (US) 2010-12-02 US claimed
EP-1317464-B1 FLUORESCENT NUCLEOBASE CONJUGATES HAVING ANIONIC LINKERS APPLERA CORP (US) 2009-05-13 EP claimed
WO-2008039997-A2 NUCLEOBASE CONJUGATES WITH CATIONIC BACKBONE LINKERS APPLERA CORPORATION (US) 2008-04-03 WO claimed
EP-1317464-A2 FLUORESCENT NUCLEOBASE CONJUGATES HAVING ANIONIC LINKERS Applera Corporation (US) 2003-06-11 EP claimed
US-20020102590-A1 Fluorescent nucleobase conjugates having anionic linkers PE CORPORATION (NY) (US) 2002-08-01 US claimed
EP-1208160-A1 RED-EMITTING 8,9]BENZOPHENOXAZINE NUCLEIC ACID DYES AND METHODS FOR THEIR USE Applera Corporation (US) 2002-05-29 EP claimed
WO-2002030944-A2 FLUORESCENT NUCLEOBASE CONJUGATES HAVING ANIONIC LINKERS APPLERA CORPORATION (US) 2002-04-18 WO claimed
WO-2001018124-A1 RED-EMITTING [8,9]BENZOPHENOXAZINE NUCLEIC ACID DYES AND METHODS FOR THEIR USE APPLERA CORPORATION (US) 2001-03-15 WO claimed
US-20140179901-A1 Peptide Conjugates and Fluorescence Detection Methods for Intracellular Caspase Assay APPLIED BIOSYSTEMS, LLC (US) 2014-06-26 US disclosed
US-8623995-B2 Peptide conjugates and fluorescence detection methods for intracellular caspase assay APPLIED BIOSYSTEMS, LLC (US) 2014-01-07 US disclosed
US-8003767-B2 Sulfonated [8,9]benzophenoxazine dyes and the use of their labelled conjugates APPLIED BIOSYSTEMS, LLC (US) 2011-08-23 US disclosed
US-20110097758-A1 Peptide Conjugates and Fluorescence Detection Methods for Intracellular Caspase Assay Life Technologies Corporation (US) 2011-04-28 US disclosed
US-20100304381-A1 FLUORESCENT NUCLEOBASE CONJUGATES HAVING ANIONIC LINKERS Life Technologies Corporation (US) 2010-12-02 US disclosed
WO-2001083621-A2 SULFONATED [8,9]BENZOPHENOXAZINE DYES AND THE USE OF THEIR LABELLED CONJUGATES APPLERA CORPORATION (US) 2001-11-08 WO disclosed
WO-2001018124-A1 RED-EMITTING [8,9]BENZOPHENOXAZINE NUCLEIC ACID DYES AND METHODS FOR THEIR USE APPLERA CORPORATION (US) 2001-03-15 WO disclosed
WO-2001018124-A1 RED-EMITTING [8,9]BENZOPHENOXAZINE NUCLEIC ACID DYES AND METHODS FOR THEIR USE APPLERA CORPORATION (US) 2001-03-15 WO disclosed
US-6140500-A THE NEW DYES ARE BRIGHTER AND PERMEATE CELLS FASTER THAN CURRENTLY AVAILABLE RED-EMITTING LIVE-CELL NUCLEIC ACID STAINS. PE CORPORATION (US) 2000-10-31 US disclosed
US-6140500-A THE NEW DYES ARE BRIGHTER AND PERMEATE CELLS FASTER THAN CURRENTLY AVAILABLE RED-EMITTING LIVE-CELL NUCLEIC ACID STAINS. PE CORPORATION (US) 2000-10-31 US disclosed
US-6140500-A THE NEW DYES ARE BRIGHTER AND PERMEATE CELLS FASTER THAN CURRENTLY AVAILABLE RED-EMITTING LIVE-CELL NUCLEIC ACID STAINS. PE CORPORATION (US) 2000-10-31 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 (4 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-20140179901-A1 Peptide Conjugates and Fluorescence Detection Methods for Intracellular Caspase Assay CASP5, CASP7, CASP12 KDM4E 4554/4885CA12 1913/4885CA9 3802/4885
US-20110097758-A1 Peptide Conjugates and Fluorescence Detection Methods for Intracellular Caspase Assay CASP5, CASP7, CASP12 KDM4E 4554/4885CA12 1913/4885CA9 3802/4885
US-20100304381-A1 FLUORESCENT NUCLEOBASE CONJUGATES HAVING ANIONIC LINKERS DNTT, DUT, NT5C3B KDM4E 1295/4885CA12 3307/4885CA9 2463/4885
US-20020102590-A1 Fluorescent nucleobase conjugates having anionic linkers DNTT, DUT, NT5C3B KDM4E 1295/4885CA12 3307/4885CA9 2463/4885

“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.