SCHEMBL997030

SCHEMBL997030

CCCNCCCNCCCNCC

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.81
MEN1 O00255 1/20 0.81
GLA P06280 1/20 0.81
KMT2A Q03164 1/20 0.81
CYP1A2 P05177 1/20 0.77
TSHR P16473 2/20 0.67
SAT1 P21673 3/20 0.56
KDM1A O60341 5/20 0.55
ALDH1A1 P00352 1/20 0.53
PAOX Q6QHF9 1/20 0.46
TP53 P04637 1/20 0.41
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40

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
SCHEMBL5172702 1.00 CYP2C19 (0.81) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL5183955 0.97 CYP2C19 (0.82) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL30520901 0.97 CYP2C19 (0.77) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL13097540 0.94 CYP2C19 (0.77) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL15884078 0.94 CYP2C19 (0.77) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL24409456 0.94 CYP2C19 (0.77) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL24672655 0.91 CYP2C19 (0.72) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL2905152 0.90 CYP2C19 (0.62) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL10904114 0.90 CYP2C19 (0.62) CYP2C19MEN1GLAKMT2ACYP1A2
Bis(Ethyl)Norspermine SCHEMBL429527 0.90 CYP2C19 (1.00) CYP2C19MEN1GLAKMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3831372-A1 MITOGUAZONE FOR PREVENTING THE RELAPSE OR THE PROGRESSION OF MULTIPLE SCLEROSIS Pathologica LLC (US) 2021-06-09 EP 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-20170290788-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE PATHOLOGICA, LLC 2017-10-12 US disclosed
CN-105163730-A Methods and compositions for treating demyelinating diseases PATHOLOGICA LLC 2015-12-16 CN disclosed
EP-2943189-A1 METHODS AND COMP0STIONS FOR TREATMENT OF DEMYELINATING DISEASES Pathologica LLC (US) 2015-11-18 EP disclosed
WO-2014110154-A1 METHODS AND COMP0STIONS FOR TREATMENT OF DEMYELINATING DISEASES PATHOLOGICA LLC (US) 2014-07-17 WO disclosed
CN-102686222-A Orally delivered drugs comprising MGBG and methods of treating diseases PATHOLOGICA LLC 2012-09-19 CN disclosed
EP-2453886-A2 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE Pathologica, LLC. (US) 2012-05-23 EP disclosed
EP-1177197-B1 POLYAMINES AND THEIR USE IN THERAPY CELLGATE INC (US) 2006-08-09 EP disclosed
WO-2006041805-A1 POLYAMINE ANALOGS AS THERAPEUTIC AGENTS FOR OCULAR DISEASES CELLGATE, INC. (US) 2006-04-20 WO disclosed
CN-1606694-A Methods for monitoring and treating amyotrophic lateral sclerosis SLIL BIOMEDICAL CORP (US) 2005-04-13 CN disclosed
US-20040235962-A1 Conformationally restricted polyamine analogs as disease therapies CELLGATE, INC. 2004-11-25 US disclosed
EP-1296931-A2 POLYAMINE ANALOGUES AS CYTOTOXIC AGENTS MediQuest Therapeutics, Inc. (US) 2003-04-02 EP disclosed
WO-2002091989-A2 ANTIVIRAL THERAPIES USING POLYAMINE OR POLYAMINE ANALOG-AMINO ACID CONJUGATES SLIL BIOMEDICAL CORPORATION (US) 2002-11-21 WO disclosed
WO-2001072685-A9 POLYAMINE ANALOGUES AS CYTOTOXIC AGENTS ORIDIGM CORP (US) 2002-10-10 WO disclosed
EP-1177197-A2 POLYAMINES AND THEIR USE IN THERAPY Slil Biomedical Corporation (US) 2002-02-06 EP disclosed
WO-2001072685-A2 POLYAMINE ANALOGUES AS CYTOTOXIC AGENTS ORIDIGM CORPORATION (US) 2001-10-04 WO disclosed
WO-2000066587-A2 POLYAMINES AND THEIR USE IN THERAPY SLIL BIOMEDICAL CORPORATION (US) 2000-11-09 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 (3 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 3757/4885MEN1 177/4885GLA 4226/4885
US-20170290788-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE BPGM, PYGB, EDNRB CYP2C19 4541/4885MEN1 401/4885GLA 137/4885
US-20180360783-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF DEMYELINATING DISEASES PMP22, MAG, GMFG CYP2C19 4252/4885MEN1 2868/4885GLA 62/4885

“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.