SCHEMBL13428176

SCHEMBL13428176

O=c1ccc2nc3ccc(OP(=O)(O)O)cc3oc-2c1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 14/20 0.68
CYP1A2 P05177 1/20 0.64
STS P08842 1/20 0.41
INPPL1 O15357 2/20 0.38
INPP5A Q14642 2/20 0.38
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALPL P05186 1/20 0.34
POLB P06746 1/20 0.34
ALPI P09923 1/20 0.34
MAPT P10636 1/20 0.34
ALPG P10696 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL31115697 0.81 APP (1.00) APPCYP1A2KDM4EALDH1A1MAPT
SCHEMBL563392 0.81 APP (1.00) APPCYP1A2KDM4EALDH1A1MAPT
SCHEMBL10038463 0.81 APP (0.75) APPCYP1A2KDM4EMEN1ALDH1A1
Pyrophosphoric Acid SCHEMBL12479167 0.81 APP (0.80) APPCYP1A2MEN1POLBKMT2A
SCHEMBL19693028 0.80 APP (0.66) APPCYP1A2KDM4EMEN1ALDH1A1
SCHEMBL22901077 0.80 APP (0.68) APPCYP1A2STS
SCHEMBL3974521 0.80 APP (0.72) APPCYP1A2KDM4EALDH1A1POLB
SCHEMBL18932158 0.78 APP (0.74) APPCYP1A2KDM4EMEN1ALDH1A1
Pyrophosphoric Acid SCHEMBL12479170 0.78 APP (0.56) APPCYP1A2KDM4EMEN1ALDH1A1
Ethoxyresorufin SCHEMBL104497 0.78 APP (1.00) APPCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210018497-A1 BRET SENSOR MOLECULES FOR DETECTING HYDROLASES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2021-01-21 US disclosed
US-20170112948-A1 Inorganic-organic hybrid compound Karlsruher Institut für Technologie (DE) 2017-04-27 US disclosed
WO-2015144282-A1 INORGANIC-ORGANIC HYBRID COMPOUND Karlsruher Institut für Technologie (DE) 2015-10-01 WO disclosed
US-8766238-B2 Polymeric anions/cations MERCK PATENT GMBH (DE) 2014-07-01 US disclosed
US-8766238-B2 Polymeric anions/cations MERCK PATENT GMBH (DE) 2014-07-01 US disclosed
US-20100059740-A1 POLYMERIC ANIONS/CATIONS MERCK PATENT GMBH (DE) 2010-03-11 US disclosed
US-20100059740-A1 POLYMERIC ANIONS/CATIONS MERCK PATENT GMBH (DE) 2010-03-11 US disclosed
EP-1427852-B1 SINGLE NUCLEOTIDE AMPLIFICATION AND DETECTION BY POLYMERASE GE HEALTHCARE BIO SCIENCES (US) 2010-02-17 EP disclosed
EP-1421213-B1 LABELED NUCLEOSIDE POLYPHOSPHATES GE HEALTHCARE BIO SCIENCES (US) 2010-02-17 EP disclosed
US-7560254-B2 Allele specific primer extension GE HEALTHCARE BIO-SCIENCES CORP. (US) 2009-07-14 US disclosed
US-7560254-B2 Allele specific primer extension GE HEALTHCARE BIO-SCIENCES CORP. (US) 2009-07-14 US disclosed
WO-2008087031-A1 POLYMERIC ANIONS/CATIONS MERCK PATENT GMBH (DE) 2008-07-24 WO disclosed
US-7393640-B2 Terminal-phosphate-labeled nucleotides with new linkers GE HEALTHCARE BIO-SCIENCES CORP. (US) 2008-07-01 US disclosed
US-7393640-B2 Terminal-phosphate-labeled nucleotides with new linkers GE HEALTHCARE BIO-SCIENCES CORP. (US) 2008-07-01 US disclosed
US-7244566-B2 Detecting one or more biopolymers using terminal phosphate labeled nucleotides; labels employed are enzyme-activatable and include chemiluminescent, fluorescent, electrochemical and chromophoric moieties GE HEALTHCARE BIO-SCIENCES CORP. (US) 2007-07-17 US disclosed
US-7244566-B2 Detecting one or more biopolymers using terminal phosphate labeled nucleotides; labels employed are enzyme-activatable and include chemiluminescent, fluorescent, electrochemical and chromophoric moieties GE HEALTHCARE BIO-SCIENCES CORP. (US) 2007-07-17 US disclosed
US-7223541-B2 Terminal-phosphate-labeled nucleotides and methods of use GE HEALTHCARE BIO-SCIENCES CORP. (US) 2007-05-29 US disclosed
US-7223541-B2 Terminal-phosphate-labeled nucleotides and methods of use GE HEALTHCARE BIO-SCIENCES CORP. (US) 2007-05-29 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 (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-20170112948-A1 Inorganic-organic hybrid compound SLCO4C1, SLCO2A1, SLCO1A2 APP 1150/4885CYP1A2 1592/4885STS 3805/4885

“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.