SCHEMBL2464969

SCHEMBL2464969

O=C1c2ccccc2C(=O)N1c1ccccc1CCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 10/20 1.00
NR1H2 P55055 6/20 1.00
PPARA Q07869 2/20 0.49
ALPL P05186 1/20 0.49
PPARD Q03181 1/20 0.49
ALDH1A1 P00352 2/20 0.49
ALDH2 P05091 2/20 0.49
ALDH3A1 P30838 2/20 0.49
PARK7 Q99497 1/20 0.49
PKM P14618 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CASP3 P42574 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL29616419 1.00 NR1H3 (1.00) NR1H3NR1H2PPARAALPLPPARD
SCHEMBL1904159 0.81 NR1H3 (0.68) NR1H3NR1H2ALDH1A1POLB
SCHEMBL11337352 0.80 NR1H3 (0.67) NR1H3NR1H2PPARAPPARDALDH1A1
SCHEMBL27586782 0.80 NR1H3 (0.70) NR1H3NR1H2PKMPOLB
SCHEMBL5717701 0.78 NR1H3 (0.63) NR1H3NR1H2PPARAPPARDALDH1A1
SCHEMBL6792489 0.77 NR1H3 (0.62) NR1H3NR1H2POLB
SCHEMBL9665968 0.77 NR1H2 (0.62) NR1H3NR1H2POLB
SCHEMBL31261698 0.77 NR1H3 (0.62) NR1H3NR1H2POLB
SCHEMBL6690679 0.76 NR1H3 (0.61) NR1H3NR1H2PPARAPPARDALDH1A1
SCHEMBL29378620 0.76 NR1H3 (1.00) NR1H3NR1H2ALDH1A1ALDH2ALDH3A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3177621-B1 NOVEL HDAC6 INHIBITORS AND THEIR USES UNIV REGENSBURG (DE) 2021-11-10 EP disclosed
US-10106540-B2 HDAC6 inhibitors and their uses UNIVERSITÄT REGENSBURG (DE) 2018-10-23 US disclosed
EP-2547696-B1 FRAGMENTS OF THE PA SUBUNIT OF RNA DEPENDENT RNA POLYMERASE FROM PANDEMIC INFLUENZA VIRUS A 2009 H1N1, AND THEIR USE EUROPEAN MOLECULAR BIOLOGY LABORATORY EMBL (DE) 2018-05-23 EP disclosed
US-20180044649-A1 INFLUENZA A 2009 PANDEMIC H1N1 POLYPEPTIDE FRAGMENTS COMPRISING ENDONUCLEASE ACTIVITY AND THEIR USE EUROPEAN MOLECULAR BIOLOGY LABORATORY EMBL (DE) 2018-02-15 US disclosed
US-9783794-B2 Influenza A 2009 pandemic H1N1 polypeptide fragments comprising endonuclease activity and their use EUROPEAN MOLECULAR BIOLOGY LABORATORY (EMBL) (DE) 2017-10-10 US disclosed
US-20170210743-A1 NOVEL HDAC6 INHIBITORS AND THEIR USES Universitätsklinikum Jena (DE) 2017-07-27 US disclosed
EP-3177621-A1 NOVEL HDAC6 INHIBITORS AND THEIR USES Universität Regensburg (DE) 2017-06-14 EP disclosed
US-20160053241-A1 INFLUENZA A 2009 PANDEMIC H1N1 POLYPEPTIDE FRAGMENTS COMPRISING ENDONUCLEASE ACTIVITY AND THEIR USE EUROPEAN MOLECULAR BIOLOGY LABORATORY (DE) 2016-02-25 US disclosed
WO-2016020369-A1 NOVEL HDAC6 INHIBITORS AND THEIR USES UNIVERSITÄT REGENSBURG (DE) 2016-02-11 WO disclosed
US-9181307-B2 Influenza A 2009 pandemic H1N1 polypeptide fragments comprising endonuclease activity and their use EUROPEAN MOLECULAR BIOLOGY LABORATORY (DE) 2015-11-10 US disclosed
US-20130023565-A1 INFLUENZA A 2009 PANDEMIC H1N1 POLYPEPTIDE FRAGMENTS COMPRISING ENDONUCLEASE ACTIVITY AND THEIR USE EUROPEAN MOLECULAR BIOLOGY LABORATORY (DE) 2013-01-24 US disclosed
EP-2547696-A2 FRAGMENTS OF THE PA SUBUNIT OF RNA DEPENDENT RNA POLYMERASE FROM PANDEMIC INFLUENZA VIRUS A 2009 H1N1, AND THEIR USE EUROPEAN MOLECULAR BIOLOGY LABORATORY (EMBL) (DE) 2013-01-23 EP disclosed
WO-2011113579-A2 INFLUENZA A 2009 PANDEMIC H1N1 POLYPEPTIDE FRAGMENTS COMPRISING ENDONUCLEASE ACTIVITY AND THEIR USE EUROPEAN MOLECULAR BIOLOGY LABORATORY (EMBL) (DE) 2011-09-22 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 (5 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-20130023565-A1 INFLUENZA A 2009 PANDEMIC H1N1 POLYPEPTIDE FRAGMENTS COMPRISING ENDONUCLEASE ACTIVITY AND THEIR USE RNASE1, RNASEH1, MME NR1H3 4267/4885NR1H2 4287/4885PPARA 519/4885
US-20170210743-A1 NOVEL HDAC6 INHIBITORS AND THEIR USES HDAC6, HDAC5, HDAC4 NR1H3 1653/4885NR1H2 1674/4885PPARA 3802/4885
US-20160053241-A1 INFLUENZA A 2009 PANDEMIC H1N1 POLYPEPTIDE FRAGMENTS COMPRISING ENDONUCLEASE ACTIVITY AND THEIR USE RNASE1, ACE, RNASEH1 NR1H3 4375/4885NR1H2 4528/4885PPARA 446/4885
US-10106540-B2 HDAC6 inhibitors and their uses HDAC6, HDAC5, HDAC4 NR1H3 1270/4885NR1H2 1255/4885PPARA 3102/4885
US-20180044649-A1 INFLUENZA A 2009 PANDEMIC H1N1 POLYPEPTIDE FRAGMENTS COMPRISING ENDONUCLEASE ACTIVITY AND THEIR USE RNASE1, ACE, RNASEH1 NR1H3 4375/4885NR1H2 4528/4885PPARA 446/4885

“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.