SCHEMBL6510657

SCHEMBL6510657

O=C(O)C(Br)CCCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.58
HDAC7 Q8WUI4 6/20 0.58
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HDAC8 Q9BY41 3/20 0.51
HDAC3 O15379 2/20 0.51
HDAC4 P56524 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC10 Q969S8 2/20 0.51
HDAC11 Q96DB2 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC9 Q9UKV0 2/20 0.51
HDAC5 Q9UQL6 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
HPGD P15428 1/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
CYP1A2 P05177 1/20 0.48

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
SCHEMBL6966437 1.00 HDAC1 (0.58) HDAC1HDAC7TDP1L3MBTL1HDAC8
SCHEMBL10667117 0.98 HDAC1 (0.56) HDAC1HDAC7TDP1L3MBTL1HDAC8
SCHEMBL10666776 0.98 HDAC1 (0.56) HDAC1HDAC7TDP1L3MBTL1HDAC8
SCHEMBL6954199 0.95 HDAC7 (0.52) HDAC1HDAC7TDP1L3MBTL1HDAC8
SCHEMBL3359985 0.95 HDAC7 (0.52) HDAC1HDAC7TDP1L3MBTL1HDAC8
SCHEMBL7898753 0.95 HDAC7 (0.52) HDAC1HDAC7TDP1L3MBTL1HDAC8
SCHEMBL876560 0.89 SMN1; SMN2 (0.53) HDAC1HDAC7SMN1; SMN2ALDH1A1MAPT
SCHEMBL13686537 0.87 HDAC1 (0.53) HDAC1HDAC7TDP1L3MBTL1HDAC8
SCHEMBL11686163 0.83 HDAC1 (0.59) HDAC1HDAC7TDP1L3MBTL1HDAC8
SCHEMBL8527564 0.82 HDAC1 (0.49) HDAC1HDAC7TDP1HDAC8HDAC3

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8980242-B2 Aliphatic prodrug linker ASCENDIS PHARMA GMBH (DK) 2015-03-17 US disclosed
US-8980242-B2 Aliphatic prodrug linker ASCENDIS PHARMA GMBH (DK) 2015-03-17 US disclosed
EP-1909845-B1 N,N-BIS-(2-HYDROXYETHYL) GLYCINE AMIDE AS LINKER IN POLYMER CONJUGATED PRODRUGS ASCENDIS PHARMA AS (DK) 2012-08-15 EP disclosed
US-20100291021-A1 ALIPHATIC PRODRUG LINKER ASCENDIS PHARMA GMBH (DE) 2010-11-18 US disclosed
US-20100291021-A1 ALIPHATIC PRODRUG LINKER ASCENDIS PHARMA GMBH (DE) 2010-11-18 US disclosed
US-6953788-B1 3-mercaptoacetylamino-1,5-substituted-2-oxo-azepan derivatives useful as inhibitors of matrix metalloproteinase AVENTIS PHARMACEUTICALS INC. (US) 2005-10-11 US disclosed
US-6953788-B1 3-mercaptoacetylamino-1,5-substituted-2-oxo-azepan derivatives useful as inhibitors of matrix metalloproteinase AVENTIS PHARMACEUTICALS INC. (US) 2005-10-11 US disclosed
US-6953788-B1 3-mercaptoacetylamino-1,5-substituted-2-oxo-azepan derivatives useful as inhibitors of matrix metalloproteinase AVENTIS PHARMACEUTICALS INC. (US) 2005-10-11 US disclosed
US-6770640-B1 EMPHYSEMA AVENTIS PHARMACEUTICALS INC. 2004-08-03 US disclosed
CN-1150205-C 3-mercaptoacetylamino-1,5-subsd. 2-oxo-azepon derivatives useful as inhibitor of metrix metalloproteinase ���µ�˹ҩ�﹫˾ 2004-05-19 CN disclosed
EP-1140818-A1 AMIDOMALONAMIDES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASE Aventis Pharmaceuticals Inc. (US) 2001-10-10 EP disclosed
US-6262080-B1 3-(thio-substitutedamido)-lactams useful as inhibitors of matrix metalloproteinase AVANTIS PHARMACEUTICALS INC. 2001-07-17 US disclosed
WO-2000040564-A1 N-CARBOXYMETHYL SUBSTITUTED BENZOLACTAMS AS INHIBITORS OF MATRIX METALLOPROTEINASE AVENTIS PHARMACEUTICALS INC. (US) 2000-07-13 WO disclosed
WO-2000040552-A1 AMIDOMALONAMIDES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASE AVENTIS PHARMACEUTICALS INC. (US) 2000-07-13 WO disclosed
WO-2000040578-A1 3-(THIO-SUBSTITUTED AMIDO)-LACTAMS USEFUL AS INHIBITORS OF MATRIX METALLOPROTEINASE AVENTIS PHARMACEUTICALS INC. (US) 2000-07-13 WO disclosed
WO-2000040577-A1 1-CARBOXYMETHYL-2-OXO-AZEPAN DERIVATIVES USEFUL AS SELECTIVE INHIBITORS OF MMP-12 AVENTIS PHARMACEUTICALS INC. (US) 2000-07-13 WO disclosed
WO-2000040553-A1 3-SUBSTITUTED PYRROLIDINES USEFUL AS INHIBITORS OF MATRIX METALLO-PROTEINASES AVENTIS PHARMACEUTICALS INC. (US) 2000-07-13 WO disclosed
CN-1234039-A 3-mercaptoacetylamino-1, 5-disubstituted-2-oxo-azepane derivatives as matrix metalloproteinase inhibitors HOECHST MARION ROUSSEL INC (US) 1999-11-03 CN disclosed
EP-0928291-A1 3-MERCAPTOACETYLAMINO-1,5-SUBSTITUTED-2-OXO-AZEPAN DERIVATIVES USEFUL AS INHIBITORS OF MATRIX METALLOPROTEINASE HOECHST MARION ROUSSEL, INC. (US) 1999-07-14 EP disclosed
WO-1998012211-A1 3-MERCAPTOACETYLAMINO-1,5-SUBSTITUTED-2-OXO-AZEPAN DERIVATIVES USEFUL AS INHIBITORS OF MATRIX METALLOPROTEINASE HOECHST MARION ROUSSEL, INC. (US) 1998-03-26 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 (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-20100291021-A1 ALIPHATIC PRODRUG LINKER PAICS, AADAC, TK1 HDAC1 47/4885HDAC7 46/4885TDP1 988/4885

“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.