SCHEMBL995528

SCHEMBL995528

CCC(N)C(N)(CCCCN)C(N)CC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 9/20 0.35
TSHR P16473 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
EPHX1 P07099 1/20 0.35
NFKB1 P19838 1/20 0.32
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA3 P07451 2/20 0.30
CA4 P22748 2/20 0.30
CA6 P23280 2/20 0.30
CA5A P35218 2/20 0.30
CA7 P43166 2/20 0.30
CA9 Q16790 2/20 0.30
CA14 Q9ULX7 2/20 0.30
CA5B Q9Y2D0 2/20 0.30
LMNA P02545 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL15401090 0.93 ODC1 (0.32) DNM1TSHRMEN1KMT2AALDH1A1
SCHEMBL7651635 0.83
SCHEMBL1576711 0.82 SMPD1 (0.41) DNM1TSHRMEN1KMT2AALDH1A1
SCHEMBL28220759 0.76 DNM1 (0.39) DNM1TSHRMEN1KMT2AALDH1A1
SCHEMBL28220785 0.76 DNM1 (0.39) DNM1TSHRMEN1KMT2AALDH1A1
SCHEMBL5183709 0.76 TSHR (0.37) DNM1TSHRMEN1KMT2AALDH1A1
SCHEMBL15668489 0.74 ODC1 (0.32) DNM1TSHRMEN1KMT2AALDH1A1
SCHEMBL27863382 0.73 NFKB1 (0.37) DNM1TSHRMEN1KMT2AALDH1A1
SCHEMBL2283399 0.72
SCHEMBL3689549 0.71 DNM1 (0.40) DNM1TSHRMEN1KMT2AALDH1A1

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 21 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
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-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-20150359761-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF DEMYELINATING DISEASES PATHOLOGICA, LLC 2015-12-17 US disclosed
EP-2943189-A1 METHODS AND COMP0STIONS FOR TREATMENT OF DEMYELINATING DISEASES Pathologica LLC (US) 2015-11-18 EP disclosed
US-20140051765-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE PATHOLOGICA LLC (US) 2014-02-20 US disclosed
US-8609734-B2 Methods of treating pain with MGBG Pathdogica, LLC (US) 2013-12-17 US disclosed
US-20120289604-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE PATHOLOGICA LLC (US) 2012-11-15 US disclosed
US-8258186-B2 Pharmaceutical for oral delivery comprising MGBG PATHOLOGICA, LLC (US) 2012-09-04 US disclosed
EP-2453886-A2 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE Pathologica, LLC. (US) 2012-05-23 EP disclosed
US-20110112199-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE PATHOLOGICA LLC (US) 2011-05-12 US disclosed
WO-2011009039-A2 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE PATHOLOGICA LLC (US) 2011-01-20 WO disclosed
US-7045550-B2 Polyamines and analogs for protecting cells during cancer chemotherapy and radiotherapy WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2006-05-16 US disclosed
US-20030118539-A1 Polyamines and analogs for protecting cells during cancer chemotherapy and radiotherapy WISCONSIN ALUMNI RESEARCH FOUNDATION 2003-06-26 US disclosed
WO-2003013245-A1 POLYAMINES AND ANALOGS FOR PROTECTING CELLS DURING CANCER CHEMOTHERAPY AND RADIOTHERAPY WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2003-02-20 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 (8 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-20150359761-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF DEMYELINATING DISEASES SRM, PMP22, SMS DNM1 885/4885TSHR 3790/4885MEN1 2393/4885
US-10085955-B2 Methods and compositions for treatment of demyelinating diseases SRM, PMP22, SMS DNM1 885/4885TSHR 3790/4885MEN1 2393/4885
US-20140051765-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE BPGM, PYGB, EDNRB DNM1 599/4885TSHR 1498/4885MEN1 401/4885
US-20170290788-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE BPGM, PYGB, EDNRB DNM1 599/4885TSHR 1498/4885MEN1 401/4885
US-20120289604-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE BPGM, PYGB, EDNRB DNM1 599/4885TSHR 1498/4885MEN1 401/4885
US-20110112199-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE BPGM, PYGB, EDNRB DNM1 599/4885TSHR 1498/4885MEN1 401/4885
US-20180360783-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF DEMYELINATING DISEASES PMP22, MAG, GMFG DNM1 2986/4885TSHR 4076/4885MEN1 2868/4885
US-10350178-B2 Methods and compositions for treatment of demyelinating diseases PMP22, MAG, GMFG DNM1 2986/4885TSHR 4076/4885MEN1 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.