SCHEMBL2280698

SCHEMBL2280698

NC1(Cc2ccccc2)C=CNC(=O)N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.39
MAOB P27338 6/20 0.39
MMP9 P14780 4/20 0.35
MMP2 P08253 3/20 0.35
MMP8 P22894 3/20 0.35
MMP13 P45452 3/20 0.35
CYP3A4 P08684 2/20 0.35
ADAM17 P78536 2/20 0.34
KDM1A O60341 3/20 0.33
KMT2A Q03164 1/20 0.33
HSD11B1 P28845 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33

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
SCHEMBL10829033 0.70 ALDH1A1 (0.40) MMP9MMP2KMT2AALDH1A1CYP1A2
SCHEMBL6938729 0.67 MMP9 (0.47) MAOAMAOBMMP9MMP2MMP8
SCHEMBL2493938 0.67 MMP2 (0.36) MMP9MMP2MMP8MMP13CYP3A4
SCHEMBL9557447 0.65
SCHEMBL7064203 0.62
SCHEMBL5448618 0.62 MMP9 (0.64) MMP9MMP2MMP8MMP13CYP3A4
SCHEMBL4174555 0.62 CYP3A4 (0.49) MMP9MMP2MMP8MMP13CYP3A4
SCHEMBL2516164 0.61
SCHEMBL5006824 0.60 CYP3A4 (0.36) MMP9MMP2MMP8MMP13CYP3A4
SCHEMBL7097777 0.60 ALDH1A1 (0.60) MMP9MMP2MMP8MMP13CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1858909-B1 SYNTHESIS OF OLIGONUCLEOTIDES GIRINDUS AG (DE) 2014-09-10 EP disclosed
EP-1828218-B1 SYNTHESIS OF PHOSPHITYLATED COMPOUNDS USING A QUATERNARY HETEROCYCLIC ACTIVATOR GIRINDUS AG (DE) 2014-04-30 EP disclosed
US-20130303745-A1 Synthesis of oligonucleotides LANGE MEINOLF (DE) 2013-11-14 US disclosed
US-20130281682-A1 SYNTHESIS OF PHOSPHITYLATED COMPOUNDS USING A QUATERNARY HETEROCYCLIC ACTIVATOR GIRINDUS AG (DE) 2013-10-24 US disclosed
US-20120322994-A1 SYNTHESIS OF OLIGONUCLEOTIDES GIRINDUS AG (DE) 2012-12-20 US disclosed
US-20120316328-A1 SYNTHESIS OF PHOSPHITYLATED COMPOUNDS USING A QUATERNARY HETEROCYCLIC ACTIVATOR GIRINDUS AG (DE) 2012-12-13 US disclosed
US-20110201799-A1 Synthesis of oligonucleotides GIRINDUS AG (DE) 2011-08-18 US disclosed
US-20110065909-A1 SYNTHESIS OF OLIGONUCLEOTIDES GIRINDUS AG (DE) 2011-03-17 US disclosed
US-20100081802-A1 Synthesis of Phosphitylated Compounds Using a Quaternary Heterocyclic Activator GIRINDUS AG (DE) 2010-04-01 US disclosed
EP-2152723-A1 SYNTHESIS OF OLIGONUCLEOTIDES Girindus AG (DE) 2010-02-17 EP disclosed
WO-2008141682-A1 SYNTHESIS OF OLIGONUCLEOTIDES GIRINDUS AG (DE) 2008-11-27 WO disclosed
EP-1858909-A1 SYNTHESIS OF OLIGONUCLEOTIDES Girindus AG (DE) 2007-11-28 EP disclosed
EP-1828218-A1 SYNTHESIS OF PHOSPHITYLATED COMPOUNDS USING A QUATERNARY HETEROCYCLIC ACTIVATOR Girindus AG (DE) 2007-09-05 EP disclosed
WO-2006094963-A1 SYNTHESIS OF OLIGONUCLEOTIDES GIRINDUS AG (DE) 2006-09-14 WO disclosed
WO-2006064039-A1 SYNTHESIS OF PHOSPHITYLATED COMPOUNDS USING A QUATERNARY HETEROCYCLIC ACTIVATOR GIRINDUS AG (DE) 2006-06-22 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 (7 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-20110201799-A1 Synthesis of oligonucleotides POLR2H, RNGTT, RNASEL MAOA 2074/4885MAOB 1699/4885MMP9 4730/4885
US-20110065909-A1 SYNTHESIS OF OLIGONUCLEOTIDES RNGTT, CPSF1, CPSF6 MAOA 1331/4885MAOB 1435/4885MMP9 4203/4885
US-20100081802-A1 Synthesis of Phosphitylated Compounds Using a Quaternary Heterocyclic Activator ARAF, ATIC, PFKFB3 MAOA 2977/4885MAOB 3382/4885MMP9 4849/4885
US-20130303745-A1 Synthesis of oligonucleotides RNGTT, POLRMT, CPSF6 MAOA 2097/4885MAOB 2044/4885MMP9 4556/4885
US-20120316328-A1 SYNTHESIS OF PHOSPHITYLATED COMPOUNDS USING A QUATERNARY HETEROCYCLIC ACTIVATOR ARAF, ATIC, PFKFB3 MAOA 3171/4885MAOB 3590/4885MMP9 4825/4885
US-20120322994-A1 SYNTHESIS OF OLIGONUCLEOTIDES RNGTT, CPSF1, CPSF6 MAOA 1331/4885MAOB 1435/4885MMP9 4203/4885
US-20130281682-A1 SYNTHESIS OF PHOSPHITYLATED COMPOUNDS USING A QUATERNARY HETEROCYCLIC ACTIVATOR ARAF, ATIC, HK2 MAOA 3254/4885MAOB 3634/4885MMP9 4836/4885

“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.