SCHEMBL12285877

SCHEMBL12285877

CC(=O)CCCCCNC(=O)OC1Cc2ccccc2C#Cc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
KMT2A Q03164 1/20 0.38
DRD3 P35462 3/20 0.37
HTR2C P28335 1/20 0.36
SLC6A3 Q01959 1/20 0.36
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
NAMPT P43490 4/20 0.35
PREP P48147 1/20 0.34
BCHE P06276 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
SCHEMBL12288689 0.91 LMNA (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12286069 0.91 KMT2A (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18501063 0.91 KMT2A (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16895236 0.87 DRD3 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10283653 0.87 HDAC3 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10295062 0.86 DRD3 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18588545 0.85 HTT (0.40) DRD3MTNR1AMTNR1BBCHEACHE
SCHEMBL12325479 0.82 DRD3 (0.35) KMT2ADRD3MTNR1AMTNR1B
SCHEMBL15801453 0.82 SMN1; SMN2 (0.39) DRD3MTNR1AMTNR1BNAMPT
SCHEMBL20662534 0.82 NAMPT (0.38) KMT2ADRD3NAMPT

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
US-10550386-B2 Monomers and oligonucleotides comprising cycloaddition adduct(s) ALNYLAM PHARMACEUTICALS, INC. (US) 2020-02-04 US disclosed
US-20170107513-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) BANK OF AMERICA, N.A. 2017-04-20 US disclosed
US-20170107513-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) BANK OF AMERICA, N.A. 2017-04-20 US disclosed
US-9566340-B2 Monomers and oligonucleotides comprising cycloaddition adduct(s) ALNYLAM PHARMACEUTICALS, INC. (US) 2017-02-14 US disclosed
US-9566340-B2 Monomers and oligonucleotides comprising cycloaddition adduct(s) ALNYLAM PHARMACEUTICALS, INC. (US) 2017-02-14 US disclosed
US-20160101189-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) BANK OF AMERICA, N.A. 2016-04-14 US disclosed
US-20160101189-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) BANK OF AMERICA, N.A. 2016-04-14 US disclosed
US-9198972-B2 Monomers and oligonucleotides comprising cycloaddition adduct(s) ALNYLAM PHARMACEUTICALS, INC. (US) 2015-12-01 US disclosed
US-9198972-B2 Monomers and oligonucleotides comprising cycloaddition adduct(s) ALNYLAM PHARMACEUTICALS, INC. (US) 2015-12-01 US disclosed
US-20130053334-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) ALNYLAM PHARMACEUTICALS, INC. (US) 2013-02-28 US disclosed
US-20130053334-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) ALNYLAM PHARMACEUTICALS, INC. (US) 2013-02-28 US disclosed
WO-2011100131-A9 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) ALNYLAM PHARMACUTICALS, INC. (US) 2011-10-20 WO disclosed
WO-2011100131-A2 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) ALNYLAM PHARMACUTICALS, INC. (US) 2011-08-18 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 (4 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-20130053334-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) DNMT1, FANCI, PCNA HDAC3 3944/4885HDAC4 3674/4885HDAC1 1834/4885
US-10550386-B2 Monomers and oligonucleotides comprising cycloaddition adduct(s) FANCI, PCNA, DNMT1 HDAC3 4036/4885HDAC4 3695/4885HDAC1 2073/4885
US-20170107513-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) FANCI, PCNA, DNMT1 HDAC3 4036/4885HDAC4 3695/4885HDAC1 2073/4885
US-20160101189-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) FANCI, PCNA, DNMT1 HDAC3 4036/4885HDAC4 3695/4885HDAC1 2073/4885

“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.