SCHEMBL217623

SCHEMBL217623

O=C(O)c1ccc(-n2cccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC2 O75106 1/20 0.60
POLB P06746 3/20 0.57
NSD2 O96028 1/20 0.57
GRK2 P25098 1/20 0.57
CASP6 P55212 1/20 0.57
CTDSP1 Q9GZU7 1/20 0.57
CA12 O43570 2/20 0.55
CA1 P00915 2/20 0.55
CA9 Q16790 2/20 0.55
CA2 P00918 1/20 0.55
SCN2A Q99250 1/20 0.55
ALDH1A1 P00352 4/20 0.55
TSHR P16473 2/20 0.55
TP53 P04637 1/20 0.55
HPGD P15428 4/20 0.53
KDM4E B2RXH2 3/20 0.53
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MAPT P10636 3/20 0.53
RAB9A P51151 3/20 0.53

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
SCHEMBL7316169 0.83 KMT2A (0.69) AOC2POLBCA12CA1CA9
SCHEMBL1477782 0.80 AOC2 (0.63) AOC2POLBNSD2GRK2CASP6
SCHEMBL2241437 0.80 KMT2A (0.71) AOC2POLBNSD2GRK2CASP6
SCHEMBL1275121 0.80 AOC2 (0.58) AOC2POLBNSD2GRK2CASP6
SCHEMBL7826352 0.77 KDM4E (0.48) AOC2POLBNSD2GRK2CASP6
Terephthalic Acid SCHEMBL21443891 0.77 TSHR (0.92) CA12CA1CA9CA2ALDH1A1
SCHEMBL594234 0.77 AOC2 (0.64) AOC2POLBNSD2CASP6CTDSP1
SCHEMBL29093983 0.77 ALDH1A1 (0.60) AOC2POLBNSD2GRK2CASP6
SCHEMBL29671334 0.77 AOC2 (0.64) AOC2POLBNSD2CASP6CTDSP1
SCHEMBL1664108 0.76 QPCT (0.58) POLBCA12CA1CA9CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3634907-B1 MODIFIED NANOSTRUCTURED CARBON MATRIX, CONTAINING SUCH A MATRIX SYSTEM AND INCLUDING SUCH SYSTEM BIOSENSOR AND A METHOD FOR THE DETERMINATION OF AN ANALYTE IN A SAMPLE USING SUCH BIOSENSOR SYSTEM AS WELL AS THE APPLICATION OF A PYRROLE BENZOIC ACID DERIVATIVE FOR THE MODIFICATION OF THE NANOSTRUCTURED CARBON MATRIX UNIV WARSZAWSKI (PL) 2021-09-08 EP claimed
EP-3634907-A1 MODIFIED NANOSTRUCTURED CARBON MATRIX, CONTAINING SUCH A MATRIX SYSTEM AND INCLUDING SUCH SYSTEM BIOSENSOR AND A METHOD FOR THE DETERMINATION OF AN ANALYTE IN A SAMPLE USING SUCH BIOSENSOR SYSTEM AS WELL AS THE APPLICATION OF A PYRROLE BENZOIC ACID DERIVATIVE FOR THE MODIFICATION OF THE NANOSTRUCTURED CARBON MATRIX Uniwersytet Warszawski (PL) 2020-04-15 EP claimed
WO-2018224980-A1 MODIFIED NANOSTRUCTURED CARBON MATRIX, CONTAINING SUCH A MATRIX SYSTEM AND INCLUDING SUCH SYSTEM BIOSENSOR AND A METHOD FOR THE DETERMINATION OF AN ANALYTE IN A SAMPLE USING SUCH BIOSENSOR SYSTEM AS WELL AS THE APPLICATION OF A PYRROLE BENZOIC ACID DERIVATIVE FOR THE MODIFICATION OF THE NANOSTRUCTURED CARBON MATRIX UNIWERSYTET WARSZAWSKI (PL) 2018-12-13 WO claimed
CN-107118773-A A kind of inorganic achirality quantum dot of gel load 国家纳米科学中心 2017-09-01 CN claimed
CN-102797043-A Medicinal molecular fragment library and construction method thereof CBB NETWORK CO LTD 2012-11-28 CN claimed
US-20110313158-A1 Two Component Recyclable Heterogeneous Catalyst, Process for Preparation Thereof and its Use for Preparation of Amines COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2011-12-22 US claimed
WO-2010097815-A2 A TWO COMPONENT RECYCLABLE HETEROGENEOUS CATALYST, PROCESS FOR PREPARATION THEREOF AND ITS USE FOR PREPARATION OF AMINES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-09-02 WO claimed
US-7642344-B2 Methods and compositions for determining the sequence of nucleic acid molecules OPERON BIOTECHNOLOGIES, INC. (US) 2010-01-05 US claimed
EP-0992511-B1 Methods and compositions for determining the sequence of nucleic acid molecules OPERON BIOTECHNOLOGIES INC (US) 2009-03-11 EP claimed
CN-101291916-A 9-aminocarbonyl substituted derivatives of glycylcyclines WYETH CORP (US) 2008-10-22 CN claimed
EP-0962464-A2 Methods and compositions for detecting binding of ligand pair using non-fluorescent label Rapigene, Inc. (US) 1999-12-08 EP claimed
WO-1999005319-A9 METHODS AND COMPOUNDS FOR ANALYZING NUCLEIC ACIDS BY MASS SPECTROMETRY RAPIGENE INC (US) 1999-06-17 WO claimed
CN-1212021-A Method and compositions for determining sequence of nucleic acid molecules RAPIGENE INC (US) 1999-03-24 CN claimed
CN-1212019-A Methods and compositions for detecting ligand pair binding using non-fluorescent labels RAPIGENE INC (US) 1999-03-24 CN claimed
WO-1999005319-A2 METHODS AND COMPOUNDS FOR ANALYZING NUCLEIC ACIDS BY MASS SPECTROMETRY RAPIGENE, INC. (US) 1999-02-04 WO claimed
EP-0868535-A2 METHODS AND COMPOSITIONS FOR DETERMINING THE SEQUENCE OF NUCLEIC ACID MOLECULES Rapigene, Inc. (US) 1998-10-07 EP claimed
EP-0850320-A2 METHODS AND COMPOSITIONS FOR DETECTING BINDING OF LIGAND PAIR USING NON-FLUORESCENT LABEL DARWIN MOLECULAR CORPORATION (US) 1998-07-01 EP claimed
WO-1997027331-A9 METHODS AND COMPOSITIONS FOR DETERMINING THE SEQUENCE OF NUCLEIC ACID MOLECULES 1997-10-09 WO claimed
WO-1997027331-A2 METHODS AND COMPOSITIONS FOR DETERMINING THE SEQUENCE OF NUCLEIC ACID MOLECULES RAPIGENE, INC. (US) 1997-07-31 WO claimed
WO-1997027327-A2 METHODS AND COMPOSITIONS FOR DETECTING BINDING OF LIGAND PAIR USING NON-FLUORESCENT LABEL RAPIGENE, INC. (US) 1997-07-31 WO claimed

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-20110313158-A1 Two Component Recyclable Heterogeneous Catalyst, Process for Preparation Thereof and its Use for Preparation of Amines HCN2, RAC2, HCN1 AOC2 18/4885POLB 2428/4885NSD2 1982/4885

“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.