SCHEMBL4167237

SCHEMBL4167237

CCNCCCCNCCCNCCCNCCCCNCC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 1.00
CYP1A2 P05177 3/20 1.00
MEN1 O00255 2/20 0.93
KMT2A Q03164 2/20 0.93
GLA P06280 1/20 0.93
KDM1A O60341 5/20 0.65
TSHR P16473 3/20 0.65
SAT1 P21673 3/20 0.62
ALDH1A1 P00352 1/20 0.59
TP53 P04637 1/20 0.47
CA12 O43570 3/20 0.44
CA2 P00918 3/20 0.44
CA4 P22748 3/20 0.44
CA6 P23280 3/20 0.44
CA5A P35218 3/20 0.44
CA7 P43166 3/20 0.44
CA9 Q16790 3/20 0.44
CA14 Q9ULX7 3/20 0.44
CA5B Q9Y2D0 3/20 0.44
CA3 P07451 2/20 0.44

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
SCHEMBL6899291 1.00 CYP2C19 (1.00) CYP2C19CYP1A2MEN1KMT2AGLA
SCHEMBL7871599 1.00 CYP2C19 (1.00) CYP2C19CYP1A2MEN1KMT2AGLA
SCHEMBL4157457 1.00 CYP2C19 (1.00) CYP2C19CYP1A2MEN1KMT2AGLA
SCHEMBL4171429 1.00 CYP2C19 (1.00) CYP2C19CYP1A2MEN1KMT2AGLA
SCHEMBL10045117 1.00 CYP2C19 (1.00) CYP2C19CYP1A2MEN1KMT2AGLA
Bis(Ethyl)Spermine SCHEMBL7092466 1.00 CYP2C19 (1.00) CYP2C19CYP1A2MEN1KMT2AGLA
SCHEMBL2529872 0.97 CYP2C19 (0.93) CYP2C19CYP1A2MEN1KMT2AGLA
SCHEMBL10045203 0.97 CYP2C19 (0.93) CYP2C19CYP1A2MEN1KMT2AGLA
Bis(Ethyl)Spermine SCHEMBL8526460 0.97 CYP2C19 (0.93) CYP2C19CYP1A2MEN1KMT2AGLA
SCHEMBL10045209 0.97 CYP2C19 (0.93) CYP2C19CYP1A2MEN1KMT2AGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024192269-A2 ENZYMATIC METHODS AND COMPOSITIONS FOR POLYMERIZATION OF PHOSPHORAMIDATE AND THIOPHOSPHORAMIDATE-LINKED DNA THE GENERAL HOSPITAL CORPORATION (US) 2024-09-19 WO disclosed
US-20240309418-A1 ENZYMATIC METHODS AND COMPOSITIONS FOR POLYMERIZATION OF PHOSPHORAMIDATE AND THIOPHOSPHORAMIDATE-LINKED DNA MASSACHUSETTS GEN HOSPITAL (US) 2024-09-19 US disclosed
EP-3971178-A1 AMINOQUINOLINE DERIVATIVES AND USES THEREOF The McLean Hospital Corporation (US) 2022-03-23 EP disclosed
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
US-10085955-B2 Methods and compositions for treatment of demyelinating diseases PATHOLOGICA LLC (US) 2018-10-02 US disclosed
US-20170290788-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE PATHOLOGICA, LLC 2017-10-12 US disclosed
US-9616035-B2 Pharmaceutical for oral delivery comprising MGBG and methods of treating disease PATHOLOGICA, LLC (US) 2017-04-11 US disclosed
US-20070161692-A1 Conformationally restricted polyamine analogs as disease therapies CELLGATE, INC. (US) 2007-07-12 US disclosed
US-7186825-B2 Conformationally restricted polyamine analogs as disease therapies CELLGATE, INC. (US) 2007-03-06 US disclosed
EP-1698629-A2 Polyamines and their use in therapy Cellgate, Inc. (US) 2006-09-06 EP disclosed
EP-1177197-B1 POLYAMINES AND THEIR USE IN THERAPY CELLGATE INC (US) 2006-08-09 EP disclosed
US-20060160906-A1 Polyamine analogs as therapeutic agents for ocular diseases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-07-20 US disclosed
US-20050233943-A1 Novel polyamine analog conjugates and quinone conjugates as therapies for cancers and prostate diseases CELLGATE, INC. 2005-10-20 US disclosed
US-20040235962-A1 Conformationally restricted polyamine analogs as disease therapies CELLGATE, INC. 2004-11-25 US disclosed
US-6794545-B1 INCREASES IN THE POLYAMINE POOL SUPPRESS POLYAMINE BIOSYNTHESIS ALSO INHIBIT CELL GROWTH; ANTIPROLIFERATIVE AGENT SLIL BIOMEDICAL CORPORATION 2004-09-21 US disclosed
US-20040006049-A1 Novel polyamine analog conjugates and quinone conjugates as therapies for cancers and prostate diseases SLIL BIOMEDICAL CORPORATION (US) 2004-01-08 US disclosed
US-6649587-B1 Cytostatic or cytocidal componenet conjugated to a polypeptide recognized and cleaved by enzymes such as prostate specific antigen (PSA) and cathepsin B SLIL BIOMEDICAL CORPORATION 2003-11-18 US 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 (9 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-20040235962-A1 Conformationally restricted polyamine analogs as disease therapies SRM, PYCR1, PAICS CYP2C19 3757/4885CYP1A2 4456/4885MEN1 177/4885
US-20070161692-A1 Conformationally restricted polyamine analogs as disease therapies SRM, PYCR1, PAICS CYP2C19 3757/4885CYP1A2 4456/4885MEN1 177/4885
US-20040006049-A1 Novel polyamine analog conjugates and quinone conjugates as therapies for cancers and prostate diseases CTSB, CTSL, CTSV CYP2C19 2936/4885CYP1A2 3658/4885MEN1 894/4885
US-10085955-B2 Methods and compositions for treatment of demyelinating diseases SRM, PMP22, SMS CYP2C19 4605/4885CYP1A2 4040/4885MEN1 2393/4885
US-20060160906-A1 Polyamine analogs as therapeutic agents for ocular diseases SRM, SMS, ARG2 CYP2C19 3558/4885CYP1A2 4565/4885MEN1 1433/4885
US-20050233943-A1 Novel polyamine analog conjugates and quinone conjugates as therapies for cancers and prostate diseases CTSB, CTSL, CTSV CYP2C19 2936/4885CYP1A2 3658/4885MEN1 894/4885
US-20170290788-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE BPGM, PYGB, EDNRB CYP2C19 4541/4885CYP1A2 4823/4885MEN1 401/4885
US-20180360783-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF DEMYELINATING DISEASES PMP22, MAG, GMFG CYP2C19 4252/4885CYP1A2 3593/4885MEN1 2868/4885
US-10350178-B2 Methods and compositions for treatment of demyelinating diseases PMP22, MAG, GMFG CYP2C19 4252/4885CYP1A2 3593/4885MEN1 2868/4885

“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.