SCHEMBL996891

SCHEMBL996891

NCCCNC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 4/20 0.68
DNMT3B Q9UBC3 2/20 0.68
PRMT7 Q9NVM4 1/20 0.68
SRM P19623 1/20 0.68
SMS P52788 1/20 0.68
DPP4 P27487 1/20 0.67
MEN1 O00255 1/20 0.67
SLC28A1 O00337 1/20 0.67
MAP3K7 O43318 1/20 0.67
SLC28A2 O43868 1/20 0.67
GAPDH P04406 1/20 0.67
ADORA3 P0DMS8 1/20 0.67
MAPK1 P28482 1/20 0.67
ADORA2A P29274 1/20 0.67
ADORA2B P29275 1/20 0.67
ADORA1 P30542 1/20 0.67
STAT6 P42226 1/20 0.67
PI4KA P42356 1/20 0.67
KMT2A Q03164 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67

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
SCHEMBL4184440 1.00 DOT1L (0.68) DOT1LDNMT3BPRMT7SRMSMS
SCHEMBL30760710 0.98 SRM (0.71) DOT1LDNMT3BPRMT7SRMSMS
SCHEMBL5007882 0.95 SRM (0.67) DOT1LDNMT3BPRMT7SRMSMS
SCHEMBL28374784 0.91 EHMT1 (0.74) DOT1LDPP4MEN1SLC28A1MAP3K7
SCHEMBL13667507 0.91 EHMT1 (0.74) DOT1LDPP4MEN1SLC28A1MAP3K7
SCHEMBL13986406 0.89 ADORA3 (0.73) DOT1LDPP4MEN1SLC28A1MAP3K7
SCHEMBL7062240 0.89 ADORA3 (0.73) DOT1LDPP4MEN1SLC28A1MAP3K7
SCHEMBL7062257 0.89 ADORA3 (0.73) DOT1LDPP4MEN1SLC28A1MAP3K7
SCHEMBL17568775 0.88 EHMT1 (0.70) DOT1LDPP4MEN1SLC28A1MAP3K7
SCHEMBL15984531 0.88 EHMT1 (0.70) DOT1LDPP4MEN1SLC28A1MAP3K7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023249908-A1 USE OF NON-TOXIC POLYAMINE ANALOGUES AND/OR INHIBITORS OF POLYAMINE BIOSYNTHESIS TO RE-BALANCE NATURAL POLYAMINE LEVELS IN SNYDER-ROBINSON SYNDROME AND RELATED DISORDERS THE JOHNS HOPKINS UNIVERSITY (US) 2023-12-28 WO claimed
EP-1357881-A4 INHIBITORS OF SPERMIDINE SYNTHASE FOR THE TREATMENT OF OSTEOARTHRITIS AND CARTILAGE REHABILITATION QUARK PHARMACEUTICALS INC (US) 2009-02-18 EP claimed
US-20040229886-A1 Inhibitors of spermidine synthase for the treatment of osteoarthritis and cartilage rehabilitation QUARK BIOTECH, INC. & SHIONOGI CO., LTD. 2004-11-18 US claimed
US-6696454-B2 ADMINISTERING AN INHIBITOR OF SPERMIDINE BIOSYNTHESIS; PREFERRED ARE DCHA (DICYCLOHEXYLAMINE), ADODATO, AND TRANS-4-METHYLCYCLOHEXYLAMINE (4MCHA) QUARK BIOTECH, INC. 2004-02-24 US claimed
EP-1357881-A2 INHIBITORS OF SPERMIDINE SYNTHASE FOR THE TREATMENT OF OSTEOARTHRITIS AND CARTILAGE REHABILITATION Quark Biotech, Inc. (US) 2003-11-05 EP claimed
US-20020160978-A1 Inhibitors of spermidine synthase for the treatment of osteoarthritis and cartilage rehabilitation QUARK PHARMACEUTICALS, INC. 2002-10-31 US claimed
WO-2002058623-A2 INHIBITORS OF SPERMIDINE SYNTHASE FOR THE TREATMENT OF OSTEOARTHRITIS AND CARTILAGE REHABILITATION QUARK BIOTECH, INC. (US) 2002-08-01 WO claimed
EP-3831372-A1 MITOGUAZONE FOR PREVENTING THE RELAPSE OR THE PROGRESSION OF MULTIPLE SCLEROSIS Pathologica LLC (US) 2021-06-09 EP disclosed
US-10350178-B2 Methods and compositions for treatment of demyelinating diseases PATHOLOGICA LLC (US) 2019-07-16 US disclosed
EP-3473247-A1 COMPOSITION FOR ORAL DELIVERY COMPRISING MGBG FOR USE IN TREATING MULTIPLE SCLEROSIS Pathologica LLC (US) 2019-04-24 EP disclosed
US-20180360783-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF DEMYELINATING DISEASES PATHOLOGICA LLC 2018-12-20 US disclosed
EP-2453886-B1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE PATHOLOGICA LLC (US) 2018-12-12 EP disclosed
US-10085955-B2 Methods and compositions for treatment of demyelinating diseases PATHOLOGICA LLC (US) 2018-10-02 US disclosed
US-20050245615-A1 Composition containing polyamine transport inhibitor and use thereof MEDIQUEST THERAPEUTICS, INC. (US) 2005-11-03 US disclosed
US-20050176828-A1 Hydrophobic polyamine analogs and methods for their use MEDIQUEST THERAPEUTICS, INC. (US) 2005-08-11 US disclosed
US-6696454-B2 ADMINISTERING AN INHIBITOR OF SPERMIDINE BIOSYNTHESIS; PREFERRED ARE DCHA (DICYCLOHEXYLAMINE), ADODATO, AND TRANS-4-METHYLCYCLOHEXYLAMINE (4MCHA) QUARK BIOTECH, INC. 2004-02-24 US disclosed
EP-1357881-A2 INHIBITORS OF SPERMIDINE SYNTHASE FOR THE TREATMENT OF OSTEOARTHRITIS AND CARTILAGE REHABILITATION Quark Biotech, Inc. (US) 2003-11-05 EP disclosed
US-20030187276-A1 Hydrophobic polyamine analogs and methods for their use AMINEX THERAPEUTICS, INC. 2003-10-02 US disclosed
US-20020160978-A1 Inhibitors of spermidine synthase for the treatment of osteoarthritis and cartilage rehabilitation QUARK PHARMACEUTICALS, INC. 2002-10-31 US disclosed
WO-2002058623-A2 INHIBITORS OF SPERMIDINE SYNTHASE FOR THE TREATMENT OF OSTEOARTHRITIS AND CARTILAGE REHABILITATION QUARK BIOTECH, INC. (US) 2002-08-01 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 (6 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-20030187276-A1 Hydrophobic polyamine analogs and methods for their use SRM, SMS, HNMT DOT1L 595/4885DNMT3B 1116/4885PRMT7 31/4885
US-10085955-B2 Methods and compositions for treatment of demyelinating diseases SRM, PMP22, SMS DOT1L 2184/4885DNMT3B 563/4885PRMT7 182/4885
US-20050176828-A1 Hydrophobic polyamine analogs and methods for their use SRM, SMS, HNMT DOT1L 595/4885DNMT3B 1116/4885PRMT7 31/4885
US-20050245615-A1 Composition containing polyamine transport inhibitor and use thereof SLC7A1, SRM, SLC16A1 DOT1L 862/4885DNMT3B 2424/4885PRMT7 279/4885
US-20180360783-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF DEMYELINATING DISEASES PMP22, MAG, GMFG DOT1L 4058/4885DNMT3B 118/4885PRMT7 642/4885
US-10350178-B2 Methods and compositions for treatment of demyelinating diseases PMP22, MAG, GMFG DOT1L 4058/4885DNMT3B 118/4885PRMT7 642/4885

“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.