SCHEMBL3359985

SCHEMBL3359985

O=C(O)C(Br)CCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC7 Q8WUI4 6/20 0.52
HDAC1 Q13547 5/20 0.52
MMP2 P08253 2/20 0.51
MMP9 P14780 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
HPGD P15428 1/20 0.49
HDAC8 Q9BY41 3/20 0.49
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
CYP1A2 P05177 1/20 0.49

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
SCHEMBL6954199 1.00 HDAC7 (0.52) HDAC7HDAC1MMP2MMP9SMN1; SMN2
SCHEMBL7898753 1.00 HDAC7 (0.52) HDAC7HDAC1MMP2MMP9SMN1; SMN2
SCHEMBL6510657 0.95 HDAC1 (0.58) HDAC7HDAC1MMP2MMP9SMN1; SMN2
SCHEMBL6966437 0.95 HDAC1 (0.58) HDAC7HDAC1MMP2MMP9SMN1; SMN2
SCHEMBL10666776 0.94 HDAC1 (0.56) HDAC7HDAC1SMN1; SMN2TDP1L3MBTL1
SCHEMBL10667117 0.94 HDAC1 (0.56) HDAC7HDAC1SMN1; SMN2TDP1L3MBTL1
SCHEMBL876560 0.90 SMN1; SMN2 (0.53) HDAC7HDAC1MMP2MMP9SMN1; SMN2
SCHEMBL7438587 0.86 NPC1 (0.50) HDAC7HDAC1HDAC8HDAC3HDAC4
SCHEMBL13691920 0.86 HDAC1 (0.48) HDAC7HDAC1MMP2MMP9SMN1; SMN2
SCHEMBL9219366 0.84 MMP2 (0.55) HDAC7HDAC1MMP2MMP9SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268810-B2 Lipophilic chelates and their use in imaging GUERBET (FR) 2012-09-18 US disclosed
EP-2265615-A1 IMIDAZOPYRIMIDINE, IMIDAZOPYRAZINE AND IMIDAZOPYRIDAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Santhera Pharmaceuticals (Schweiz) AG (CH) 2010-12-29 EP disclosed
WO-2009115321-A1 MIDAZOPYRIMIDINE, IMIDAZOPYRAZINE AND IMIDAZOPYRIDAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2009-09-24 WO disclosed
EP-2103614-A1 Substituted imidazopyrimidine, imidazopyrazine and imidazopyridazine derivatives as melanocortin-4 receptor modulators Santhera Pharmaceuticals (Schweiz) AG (CH) 2009-09-23 EP disclosed
US-20090214441-A1 Lipophilic Chelates and Their Use in Imaging GUERBET (FR) 2009-08-27 US disclosed
EP-1480979-B1 GADOLINIUM CHELATE OLIGOMERS, THEIR USE AS CONTRAST PRODUCTS IN MAGNETIC RESONANCE IMAGING AND THEIR SYNTHESIS INTERMEDIATES GUERBET SA (FR) 2007-05-02 EP disclosed
EP-1480979-A2 GADOLINIUM CHELATE OLIGOMERS, THEIR USE AS CONTRAST PRODUCTS IN MAGNETIC RESONANCE IMAGING AND THEIR SYNTHESIS INTERMEDIATES GUERBET (FR) 2004-12-01 EP disclosed
WO-2003074523-A2 GADOLINIUM CHELATE OLIGOMERS, THEIR USE AS CONTRAST PRODUCTS IN MAGNETIC RESONANCE IMAGING AND THEIR SYNTHESIS INTERMEDIATES GUERBET (FR) 2003-09-12 WO disclosed
EP-0824544-B1 PEPTIDYL COMPOUNDS WHICH INHIBIT METALLOPROTEINASE AND TNF LIBERATION AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2003-04-16 EP disclosed
US-6180611-B1 INHIBITORS OF MATRIX METALLOPROTEINASES AND TUMOR NECROSIS FACTOR DARWIN DISCOVERY, LTD. (GB) 2001-01-30 US disclosed
EP-0784629-B1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEASES DARWIN DISCOVERY LTD (GB) 1999-04-28 EP disclosed
US-5872146-A Mercapto alkyl peptidyl compounds having MMP and TNF inhibitory activity CHIROSCIENCE LIMITED (GB) 1999-02-16 US disclosed
EP-0891328-A1 PEPTIDYL COMPOUNDS HAVING MMP AND TNF INHIBITORY ACTIVITY Darwin Discovery Limited (GB) 1999-01-20 EP disclosed
CN-1193978-A Peptidyl compounds and their therapeutic use as inhibitors of metalloproteases CHIROSCIENCE LTD (GB) 1998-09-23 CN disclosed
EP-0824544-A1 PEPTIDYL COMPOUNDS WHICH INHIBIT METALLOPROTEINASE AND TNF LIBERATION AND THEIR THERAPEUTIC USE Chiroscience Limited (GB) 1998-02-25 EP disclosed
US-5712389-A Polyaminated ligands and metal complexes thereof GUERBET S.A. (FR) 1998-01-27 US disclosed
WO-1997037973-A1 PEPTIDYL COMPOUNDS HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LIMITED (GB) 1997-10-16 WO disclosed
EP-0784629-A1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEASES Chiroscience Limited (GB) 1997-07-23 EP disclosed
WO-1996035712-A1 PEPTIDYL COMPOUNDS WHICH INHIBIT METALLOPROTEINASE AND TNF LIBERATION AND THEIR THERAPEUTIC USE CHIROSCIENCE LIMITED (GB) 1996-11-14 WO disclosed
WO-1996011209-A1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEASES CHIROSCIENCE LIMITED (GB) 1996-04-18 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 (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-20090214441-A1 Lipophilic Chelates and Their Use in Imaging SLC40A1, TSPO, SLC47A2 HDAC7 2481/4885HDAC1 1895/4885MMP2 3718/4885

“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.