SCHEMBL1673283

SCHEMBL1673283

Nc1ccc2ccc3c(c2c1N)Nc1ccccc1O3

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 11/20 0.48
HTR2B P41595 2/20 0.38
HTR7 P34969 1/20 0.38
DHODH Q02127 1/20 0.36
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RAD52 P43351 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
ATM Q13315 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
Acetic Acid SCHEMBL28543913 0.91 ALOX5 (0.50) ALOX5HTR2BHTR7MEN1KMT2A
SCHEMBL3984907 0.85 ALOX5 (0.57) ALOX5HTR2BHTR7DHODHMEN1
SCHEMBL5847281 0.77 ALOX5 (0.50) ALOX5HTR2BHTR7DHODHMEN1
SCHEMBL31191625 0.76 ALOX5 (0.59) ALOX5HTR2BHTR7DHODHMEN1
SCHEMBL89676 0.76 ALOX5 (0.59) ALOX5HTR2BHTR7DHODHMEN1
Hydrochloric Acid SCHEMBL27849245 0.75 ALOX5 (0.57) ALOX5HTR2BHTR7DHODHMEN1
Hydrochloric Acid SCHEMBL4195457 0.75 ALOX5 (0.57) ALOX5HTR2BHTR7DHODHMEN1
SCHEMBL27822363 0.74 ALOX5 (0.47) ALOX5HTR2BHTR7DHODHMEN1
SCHEMBL121074 0.73 ALOX5 (0.55) ALOX5DHODHGAANPSR1ALDH1A1
SCHEMBL31191628 0.73 ALOX5 (0.55) ALOX5DHODHGAANPSR1ALDH1A1

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
US-20140179901-A1 Peptide Conjugates and Fluorescence Detection Methods for Intracellular Caspase Assay APPLIED BIOSYSTEMS, LLC (US) 2014-06-26 US disclosed
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-8623995-B2 Peptide conjugates and fluorescence detection methods for intracellular caspase assay APPLIED BIOSYSTEMS, LLC (US) 2014-01-07 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-20110097758-A1 Peptide Conjugates and Fluorescence Detection Methods for Intracellular Caspase Assay Life Technologies Corporation (US) 2011-04-28 US disclosed
US-20100273943-A1 PEPTIDE CONJUGATES AND FLUORESCENCE DETECTION METHODS FOR INTRACELLULAR CASPASE ASSAY Life Technologies Corporation (US) 2010-10-28 US disclosed
US-20100273943-A1 PEPTIDE CONJUGATES AND FLUORESCENCE DETECTION METHODS FOR INTRACELLULAR CASPASE ASSAY Life Technologies Corporation (US) 2010-10-28 US disclosed
US-20070009440-A1 Peptide Conjugates and Fluorescence Detection Methods for Intarcellular Caspase Assay APPLERA CORPORATION (US) 2007-01-11 US disclosed
US-20070009440-A1 Peptide Conjugates and Fluorescence Detection Methods for Intarcellular Caspase Assay APPLERA CORPORATION (US) 2007-01-11 US disclosed
US-20060252109-A1 Peptide conjugates and fluorescence detection methods for intracellular caspase assay APPLERA CORPORATION (US) 2006-11-09 US disclosed
US-20060252109-A1 Peptide conjugates and fluorescence detection methods for intracellular caspase assay APPLERA CORPORATION (US) 2006-11-09 US disclosed
US-6979530-B2 Peptide conjugates and fluorescence detection methods for intracellular caspase assay APPLERA CORPORATION (US) 2005-12-27 US disclosed
US-6979530-B2 Peptide conjugates and fluorescence detection methods for intracellular caspase assay APPLERA CORPORATION (US) 2005-12-27 US disclosed
WO-2002094778-A3 PEPTIDE CONJUGATES AND FLUORESCENCE DETECTION METHODS FOR INTRACELLULAR CASPASE ASSAY APPLERA CORP (US) 2004-02-19 WO disclosed
US-20030186214-A1 Dibenzorhodamine dyes and diamino-benzophenoxazine dyes for APPLIED BIOSYSTEMS, LLC 2003-10-02 US disclosed
US-20030186214-A1 Dibenzorhodamine dyes and diamino-benzophenoxazine dyes for APPLIED BIOSYSTEMS, LLC 2003-10-02 US disclosed
WO-2002094778-A2 PEPTIDE CONJUGATES AND FLUORESCENCE DETECTION METHODS FOR INTRACELLULAR CASPASE ASSAY APPLERA CORPORATION (US) 2002-11-28 WO disclosed
WO-2002094778-A2 PEPTIDE CONJUGATES AND FLUORESCENCE DETECTION METHODS FOR INTRACELLULAR CASPASE ASSAY APPLERA CORPORATION (US) 2002-11-28 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 (6 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 ALOX5 2008/4885HTR2B 3132/4885HTR7 1440/4885
US-20070009440-A1 Peptide Conjugates and Fluorescence Detection Methods for Intarcellular Caspase Assay CASP5, CASP12, CASP3 ALOX5 1663/4885HTR2B 2630/4885HTR7 1203/4885
US-20060252109-A1 Peptide conjugates and fluorescence detection methods for intracellular caspase assay CASP5, CASP7, CASP12 ALOX5 2008/4885HTR2B 3132/4885HTR7 1440/4885
US-20100273943-A1 PEPTIDE CONJUGATES AND FLUORESCENCE DETECTION METHODS FOR INTRACELLULAR CASPASE ASSAY CASP5, CASP7, CASP12 ALOX5 2008/4885HTR2B 3132/4885HTR7 1440/4885
US-20030186214-A1 Dibenzorhodamine dyes and diamino-benzophenoxazine dyes for BAD, CASP5, PDCD5 ALOX5 1513/4885HTR2B 2588/4885HTR7 1103/4885
US-20110097758-A1 Peptide Conjugates and Fluorescence Detection Methods for Intracellular Caspase Assay CASP5, CASP7, CASP12 ALOX5 2008/4885HTR2B 3132/4885HTR7 1440/4885

“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.