SCHEMBL16010983

SCHEMBL16010983

O=C(O)CCCCCC(=O)Nc1ccccc1Br

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.60
RAB9A P51151 1/20 0.60
KMT2A Q03164 3/20 0.58
GAA P10253 1/20 0.58
HDAC1 Q13547 11/20 0.57
HDAC3 O15379 10/20 0.57
HDAC2 Q92769 9/20 0.57
HDAC6 Q9UBN7 9/20 0.57
HDAC10 Q969S8 8/20 0.57
HDAC4 P56524 8/20 0.57
HDAC7 Q8WUI4 8/20 0.57
HDAC11 Q96DB2 8/20 0.57
HDAC8 Q9BY41 8/20 0.57
HDAC9 Q9UKV0 8/20 0.57
HDAC5 Q9UQL6 8/20 0.57
NCOR2 Q9Y618 4/20 0.57
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPK1 P28482 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL15480414 0.89 HDAC1 (0.69) LMNARAB9AKMT2AHDAC1HDAC3
SCHEMBL9901469 0.86 CETP (0.67) LMNARAB9AHDAC1HDAC3HDAC2
SCHEMBL16010908 0.84 HDAC3 (0.82) HDAC1HDAC3HDAC2HDAC6HDAC10
SCHEMBL21665202 0.83 HTT (0.60) KMT2AGAAHDAC1HDAC3HDAC2
SCHEMBL7717024 0.82 HDAC3 (0.61) RAB9AKMT2AGAAHDAC1HDAC3
SCHEMBL7717055 0.82 HDAC3 (0.61) RAB9AKMT2AGAAHDAC1HDAC3
SCHEMBL7719067 0.82 HDAC3 (0.61) RAB9AKMT2AGAAHDAC1HDAC3
SCHEMBL3865714 0.81 L3MBTL1 (0.61) LMNARAB9AKMT2AMEN1ALDH1A1
SCHEMBL1066412 0.81 HDAC3 (0.74) LMNARAB9AKMT2AHDAC1HDAC3
SCHEMBL469447 0.81 SMN1; SMN2 (0.65) RAB9AKMT2AGAAHDAC1HDAC3

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 9 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
US-9133105-B2 Transcription factor modulators C&C BIOPHARMA, LLC (US) 2015-09-15 US 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
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
US-20140256775-A1 NOVEL TRANSCRIPTION FACTOR MODULATORS C & C BIOPHARMA LLC (US) 2014-09-11 US 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 LMNA 2840/4885RAB9A 4390/4885KMT2A 873/4885

“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.