SCHEMBL6966437

SCHEMBL6966437

O=C(O)[C@H](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
SCHEMBL6510657 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140818-B1 AMIDOMALONAMIDES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASE AVENTIS PHARMA INC (US) 2003-09-10 EP disclosed
US-6544980-B2 For treating neoplasms, atherosclerosis, and chronic inflammatory diseases AVENTIS PHARMACEUTICALS INC. 2003-04-08 US disclosed
EP-1150976-B1 3-(THIO-SUBSTITUTED AMIDO)-LACTAMS USEFUL AS INHIBITORS OF MATRIX METALLOPROTEINASE AVENTIS PHARMA INC (US) 2003-02-26 EP disclosed
EP-0928291-B1 3-MERCAPTOACETYLAMINO-1,5-SUBSTITUTED-2-OXO-AZEPAN DERIVATIVES USEFUL AS INHIBITORS OF MATRIX METALLOPROTEINASE AVENTIS PHARMA INC (US) 2002-12-04 EP disclosed
US-6486193-B2 ANTIARTHRITIC AGENTS; ANTIINFLAMMATORY AGENTS AVENTIS PHARMACEUTICALS INC. 2002-11-26 US disclosed
US-20020095035-A1 N-carboxymethyl substituted benzolactams as inhibitors of matrix metalloproteinase WARSHAWSKY ALAN M (US) 2002-07-18 US disclosed
US-20020037859-A1 3-substituted pyrrolidines useful as inhibitors of matrix metalloproteinases AVENTISUB INC. 2002-03-28 US disclosed
US-6329550-B1 FOR THERAPY OF EMPHYSEMA, OSTEOPOROSIS, RHEUMATOID ARTHRITIS AND NEOPLASTIC DISEASES AVENTIS PHARMACEUTICALS INC. 2001-12-11 US disclosed
EP-1150951-A1 3-SUBSTITUTED PYRROLIDINES USEFUL AS INHIBITORS OF MATRIX METALLO-PROTEINASES Aventis Pharmaceuticals Inc. (US) 2001-11-07 EP disclosed
EP-1150957-A1 N-CARBOXYMETHYL SUBSTITUTED BENZOLACTAMS AS INHIBITORS OF MATRIX METALLOPROTEINASE Aventis Pharmaceuticals Inc. (US) 2001-11-07 EP disclosed
EP-1150976-A1 3-(THIO-SUBSTITUTED AMIDO)-LACTAMS USEFUL AS INHIBITORS OF MATRIX METALLOPROTEINASE Aventis Pharmaceuticals Inc. (US) 2001-11-07 EP 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-2000040553-A1 3-SUBSTITUTED PYRROLIDINES USEFUL AS INHIBITORS OF MATRIX METALLO-PROTEINASES AVENTIS PHARMACEUTICALS INC. (US) 2000-07-13 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 (2 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-20020095035-A1 N-carboxymethyl substituted benzolactams as inhibitors of matrix metalloproteinase MMP17, MMP26, MMP16 HDAC1 268/4885HDAC7 515/4885TDP1 1908/4885
US-20020037859-A1 3-substituted pyrrolidines useful as inhibitors of matrix metalloproteinases MMP3, MMP1, MMP9 HDAC1 108/4885HDAC7 419/4885TDP1 859/4885

“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.