SCHEMBL900949

SCHEMBL900949

CC(Sc1ccccn1)c1ccc(C(=O)NCCCCCC(=O)ON2C(=O)CC(S(=O)(=O)O)C2=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TP53 P04637 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC6 Q9UBN7 10/20 0.36
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
DRD3 P35462 1/20 0.33
PTAFR P25105 1/20 0.33

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
SCHEMBL321300 0.93 SMN1; SMN2 (0.35) SMN1; SMN2NPC1RAB9ATP53HDAC3
SCHEMBL5051008 0.88 ALDH1A1 (0.34) SMN1; SMN2HDAC3HDAC6KMT2AALDH1A1
SCHEMBL16491630 0.88 HDAC6 (0.35) SMN1; SMN2NPC1RAB9ATP53HDAC3
SCHEMBL15493502 0.84 SMN1; SMN2 (0.37) SMN1; SMN2NPC1RAB9ATP53HDAC3
SCHEMBL346020 0.83 ALDH1A1 (0.33) SMN1; SMN2HDAC3HDAC6KMT2AALDH1A1
SCHEMBL30031578 0.83 ALDH1A1 (0.33) SMN1; SMN2HDAC3HDAC6KMT2AALDH1A1
SCHEMBL15080491 0.81 SMN1; SMN2 (0.35) SMN1; SMN2NPC1RAB9ATP53HDAC3
SCHEMBL2283058 0.80 HPGD (0.46) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1
SCHEMBL9136880 0.79 ALDH1A1 (0.34) SMN1; SMN2NPC1HDAC3HDAC6KMT2A
SCHEMBL179849 0.79 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9ATP53HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100209352-A1 SYNTHESIS AND CONJUGATION OF IRON OXIDE NANOPARTICLES TO ANTIBODIES FOR TARGETING SPECIFIC CELLS USING FLUORESCENCE AND MR IMAGING TECHNIQUES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF (US) 2010-08-19 US claimed
US-20070059775-A1 Synthesis and conjugation of iron oxide nanoparticles to antibodies for targeting specific cells using fluorescence and MR imaging techniques THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2007-03-15 US claimed
US-20060223156-A1 Controlled dissolution crosslinked protein in crystals ALTHEA TECHNOLOGIES, INC. 2006-10-05 US claimed
EP-0701448-B1 AMPLIFICATION OF THE VITAMIN B 12 UPTAKE SYSTEM USING POLYMERS BIOTECH AUSTRALIA PTY LTD (AU) 2002-08-14 EP claimed
US-20230355730-A1 METHODS FOR TREATING AUTOIMMUNE DISEASE USING BIOCOMPATIBLE BIOABSORBABLE NANOSPHERES UTI LIMITED PARTNERSHIP (CA) 2023-11-09 US disclosed
US-20230248852-A1 Nanoparticle Photoacoustic Imaging Agents THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2023-08-10 US disclosed
US-20210145949-A1 COMPOSITIONS AND METHODS FOR THE PREVENTION AND TREATMENT OF AUTOIMMUNE CONDITIONS MOORE, ANNA 2021-05-20 US disclosed
US-11000596-B2 Compositions and methods for the prevention and treatment of cancer UTI Limited Parttiership (CA) 2021-05-11 US disclosed
US-10905775-B2 Particulate constructs for release of active agents CELATOR PHARMACEUTICALS, INC. (US) 2021-02-02 US disclosed
EP-2842570-B1 COMPOSITIONS AND METHODS FOR THE PREVENTION AND TREATMENT OF AUTOIMMUNE CONDITIONS UTI LP (CA) 2020-05-06 EP disclosed
US-20200054772-A1 Nanoparticle Photoacoustic Imaging Agents THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2020-02-20 US disclosed
US-20190134171-A1 METHODS FOR TREATING AUTOIMMUNE DISEASE USING BIOCOMPATIBLE BIOABSORBABLE NANOSPHERES UTI LIMITED PARTNERSHIP 2019-05-09 US disclosed
US-20090081184-A1 NON-PANCREATIC PROTEASES FOR CONTROLLING PLASMA CHOLECYSTOKININ (CCK) CONCENTRATION AND FOR TREATING PAIN ALTUS PHARMACEUTICALS INC. (US) 2009-03-26 US disclosed
WO-2008156638-A2 METHOD OF TREATING DISORDERS THAT WOULD BENEFIT FROM INCREASED LEVELS OF BILIRUBIN IN A SUBJECT BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2008-12-24 WO disclosed
US-20080299205-A1 Particulate Constructs For Release of Active Agents CELATOR PHARMACEUTICALS, INC. 2008-12-04 US disclosed
EP-1985699-A1 Controlled dissolution crosslinked protein crystals Altus Pharmaceuticals Inc. (US) 2008-10-29 EP disclosed
WO-2008109852-A2 COMPOSITIONS AND METHODS FOR THE PREVENTION AND TREATMENT OF AUTOIMMUNE CONDITIONS UTI LIMITED PARTNERSHIP (CA) 2008-09-12 WO disclosed
US-20070059775-A1 Synthesis and conjugation of iron oxide nanoparticles to antibodies for targeting specific cells using fluorescence and MR imaging techniques THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2007-03-15 US disclosed
US-6670322-B2 Covalently bonding a drug such as captopril to a biopolymeric delivery vehicle such as amino-dextrans, and conjugating the prodrug to a botulinum neurotoxin heavy chain; possible treatment for biological warfare exposure of the toxin WISCONSIN ALUMNI RESEARCH FOUNDATION 2003-12-30 US disclosed
US-20030147921-A1 Method of targeting pharmaceuticals to motor neurons NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-08-07 US disclosed