SCHEMBL16010937

SCHEMBL16010937

NC(=O)C(CCCCC(=O)Nc1cccc(Br)c1)c1cnccc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 9/20 0.45
MEF2D Q14814 4/20 0.44
HDAC3 O15379 4/20 0.42
HDAC1 Q13547 4/20 0.42
HDAC7 Q8WUI4 4/20 0.42
HDAC2 Q92769 4/20 0.42
HDAC10 Q969S8 4/20 0.42
HDAC11 Q96DB2 4/20 0.42
HDAC8 Q9BY41 4/20 0.42
HDAC6 Q9UBN7 4/20 0.42
HDAC9 Q9UKV0 4/20 0.42
HDAC5 Q9UQL6 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ATM Q13315 1/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL16010939 0.80 HDAC4 (0.62) HDAC4MEF2DHDAC3HDAC1HDAC7
SCHEMBL16010979 0.80 HDAC4 (0.66) HDAC4MEF2DHDAC3HDAC1HDAC7
SCHEMBL16011100 0.75 HDAC4 (0.63) HDAC4MEF2DHDAC3HDAC1HDAC7
SCHEMBL1063952 0.74 HDAC1 (0.58) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL1060811 0.73 HDAC1 (0.60) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL12126959 0.69 HDAC4 (0.75) HDAC4MEF2DHDAC3HDAC1HDAC7
SCHEMBL30087930 0.69 GAA (0.62) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL21805191 0.69 GAA (0.62) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL22743026 0.69 L3MBTL1 (0.63) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL3236638 0.69 EPHX2 (0.49) HDAC4MEF2DHDAC3HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2994122-A1 NOVEL TRANSCRIPTION FACTOR MODULATORS C & C Biopharma, LLC (US) 2016-03-16 EP disclosed
US-9133105-B2 Transcription factor modulators C&C BIOPHARMA, LLC (US) 2015-09-15 US disclosed
WO-2014138508-A1 NOVEL TRANSCRIPTION FACTOR MODULATORS C & C BIOPHARMA, LLC (US) 2014-09-12 WO disclosed
US-20140256775-A1 NOVEL TRANSCRIPTION FACTOR MODULATORS C & C BIOPHARMA LLC (US) 2014-09-11 US 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 (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-20140256775-A1 NOVEL TRANSCRIPTION FACTOR MODULATORS RELA, CBFB, CREBBP HDAC4 224/4885MEF2D 255/4885HDAC3 206/4885

“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.