SCHEMBL2567547

SCHEMBL2567547

C=CCCNCc1ccc(OC)cc1OC

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.69
HTR2A P28223 2/20 0.58
HTR2C P28335 2/20 0.58
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
DPP7 Q9UHL4 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL7768853 0.86 APLNR (0.86) APLNRHTR2AHTR2CHDAC3HDAC1
SCHEMBL2108622 0.85 APLNR (0.73) APLNRHTR2AHTR2CHDAC3HDAC1
SCHEMBL26028290 0.84 APLNR (0.46) APLNRHTR2AHTR2CMEN1KMT2A
SCHEMBL783785 0.82 APLNR (1.00) APLNRHTR2AHTR2CHDAC3HDAC1
SCHEMBL18256578 0.81 APLNR (0.77) APLNRHTR2AHTR2CHDAC3HDAC1
SCHEMBL31114343 0.80 APLNR (0.75) APLNRHTR2AHTR2CHDAC3HDAC1
SCHEMBL26027745 0.80 CHRM2 (0.64) MEN1KMT2ATSHRKDM4EALDH1A1
SCHEMBL29580030 0.80 APLNR (0.75) APLNRHTR2AHTR2CHDAC3HDAC1
SCHEMBL14971128 0.80 APLNR (0.75) APLNRHTR2AHTR2CHDAC3HDAC1
SCHEMBL19151327 0.80 APLNR (0.65) APLNRHTR2AHTR2CHDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1626961-B1 NOVEL 2-OXO-HETEROCYCLIC COMPOUNDS AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME KOREA RES INST OF BIOSCIENCE (KR) 2011-11-02 EP disclosed
US-7846963-B2 2-oxo-heterocyclic compounds and the pharmaceutical compositions comprising the same KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2010-12-07 US disclosed
US-20100286207-A1 Novel 2-Oxo-Heterocyclic Compounds And The Pharmaceutical Compositions Comprising The Same KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2010-11-11 US disclosed
US-7723376-B2 2-oxo-heterocyclic compounds and pharmaceutical compositions KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2010-05-25 US disclosed
EP-1626961-A4 NOVEL 2-OXO-HETEROCYCLIC COMPOUNDS AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME KOREA RES INST OF BIOSCIENCE (KR) 2008-07-16 EP disclosed
US-20070167486-A1 Novel 2-oxo-heterocyclic compounds and the pharmaceutical compositions comprising the same KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2007-07-19 US disclosed
US-20060173043-A1 Use of novel 2-oxo-heterocyclic compounds and the pharmaceutical compositions comprising the same KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2006-08-03 US disclosed
EP-1663201-A1 A USE OF NOVEL 2-OXO-HETEROCYCLIC COMPOUNDS AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Korea Research Institute of Bioscience and Biotechnology (KR) 2006-06-07 EP disclosed
EP-1626961-A1 NOVEL 2-OXO-HETEROCYCLIC COMPOUNDS AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Korea Research Institute of Bioscience and Biotechnology (KR) 2006-02-22 EP disclosed
WO-2005004861-A1 A USE OF NOVEL 2-OXO-HETEROCYCLIC COMPOUNDS AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2005-01-20 WO disclosed
WO-2004101523-A1 NOVEL 2-OXO-HETEROCYCLIC COMPOUNDS AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2004-11-25 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 (3 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-20100286207-A1 Novel 2-Oxo-Heterocyclic Compounds And The Pharmaceutical Compositions Comprising The Same NOD2, BMP2, NOD1 APLNR 4577/4885HTR2A 626/4885HTR2C 489/4885
US-20070167486-A1 Novel 2-oxo-heterocyclic compounds and the pharmaceutical compositions comprising the same NOD2, NOD1, BMP2 APLNR 4600/4885HTR2A 630/4885HTR2C 503/4885
US-20060173043-A1 Use of novel 2-oxo-heterocyclic compounds and the pharmaceutical compositions comprising the same MALT1, BRCA1, MCL1 APLNR 2201/4885HTR2A 3255/4885HTR2C 2064/4885

“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.