SCHEMBL12083000

SCHEMBL12083000

N=C(N)c1ccc(CNCCCCCNCc2ccc(C(=N)N)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 9/20 0.58
ST14 Q9Y5Y6 4/20 0.58
PRSS2 P07478 3/20 0.58
PRSS3 P35030 3/20 0.58
F2 P00734 2/20 0.58
TMPRSS6 Q8IU80 2/20 0.58
F10 P00742 1/20 0.52
LOXL2 Q9Y4K0 1/20 0.52
MAOA P21397 1/20 0.52
CHRM2 P08172 5/20 0.52

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
SCHEMBL12085588 1.00 PRSS1 (0.58) PRSS1ST14PRSS2PRSS3F2
SCHEMBL12085592 0.98 PRSS1 (0.56) PRSS1ST14PRSS2PRSS3F2
SCHEMBL14448135 0.92 PRSS1 (0.50) PRSS1ST14PRSS2PRSS3F2
SCHEMBL23468483 0.92 PRSS1 (0.50) PRSS1ST14PRSS2PRSS3F2
SCHEMBL14397030 0.88 PRSS1 (0.46) PRSS1ST14PRSS2PRSS3F2
SCHEMBL23468519 0.87 PRSS1 (0.46) PRSS1ST14PRSS2PRSS3F2
SCHEMBL13714812 0.79 PRSS1 (0.53) PRSS1ST14PRSS2PRSS3F2
SCHEMBL16808247 0.77 ITGB3 (0.52) PRSS1ST14PRSS2PRSS3F2
SCHEMBL7428912 0.76 PRSS1 (0.50) PRSS1ST14PRSS2PRSS3F2
SCHEMBL1445939 0.75 PRSS1 (0.48) PRSS1ST14PRSS2PRSS3F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10350178-B2 Methods and compositions for treatment of demyelinating diseases PATHOLOGICA LLC (US) 2019-07-16 US disclosed
US-20170290788-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE PATHOLOGICA, LLC 2017-10-12 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-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
US-20150359761-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF DEMYELINATING DISEASES PATHOLOGICA, LLC 2015-12-17 US disclosed
WO-2014110154-A1 METHODS AND COMP0STIONS FOR TREATMENT OF DEMYELINATING DISEASES PATHOLOGICA LLC (US) 2014-07-17 WO disclosed
US-20140051765-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE PATHOLOGICA LLC (US) 2014-02-20 US disclosed
US-20140051765-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE PATHOLOGICA LLC (US) 2014-02-20 US disclosed
US-7312244-B2 Polyamine analog-amino acid conjugates useful as anticancer agents CELLGATE, INC. (US) 2007-12-25 US disclosed
US-7279502-B2 Polyamine analog conjugates and quinone conjugates as therapies for cancers and prostate diseases CELLGATE, INC. (US) 2007-10-09 US disclosed
US-7279502-B2 Polyamine analog conjugates and quinone conjugates as therapies for cancers and prostate diseases CELLGATE, INC. (US) 2007-10-09 US disclosed
US-20070232677-A1 Treatment and prevention of vascular hyperplasia using polyamine and polyamine analog compounds CELLGATE, INC. 2007-10-04 US disclosed
US-20070232677-A1 Treatment and prevention of vascular hyperplasia using polyamine and polyamine analog compounds CELLGATE, INC. 2007-10-04 US disclosed
US-20070161692-A1 Conformationally restricted polyamine analogs as disease therapies CELLGATE, INC. (US) 2007-07-12 US disclosed
US-20070161692-A1 Conformationally restricted polyamine analogs as disease therapies CELLGATE, INC. (US) 2007-07-12 US disclosed
WO-2007040535-A1 USE OF POLYAMINE ANALOGS FOR TREATMENT AND PREVENTION OF INTESTINAL POLYPS CELLGATE, INC. (US) 2007-04-12 WO disclosed
US-7186825-B2 Conformationally restricted polyamine analogs as disease therapies CELLGATE, INC. (US) 2007-03-06 US disclosed
US-7186825-B2 Conformationally restricted polyamine analogs as disease therapies CELLGATE, INC. (US) 2007-03-06 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 (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-20070232677-A1 Treatment and prevention of vascular hyperplasia using polyamine and polyamine analog compounds SRM, SMS, PCNA PRSS1 1076/4885ST14 728/4885PRSS2 4035/4885
US-20070161692-A1 Conformationally restricted polyamine analogs as disease therapies SRM, PYCR1, PAICS PRSS1 1163/4885ST14 2100/4885PRSS2 2494/4885
US-20150359761-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF DEMYELINATING DISEASES SRM, PMP22, SMS PRSS1 2171/4885ST14 4477/4885PRSS2 3358/4885
US-20140051765-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE BPGM, PYGB, EDNRB PRSS1 1484/4885ST14 2891/4885PRSS2 3486/4885
US-20170290788-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE BPGM, PYGB, EDNRB PRSS1 1484/4885ST14 2891/4885PRSS2 3486/4885
US-10350178-B2 Methods and compositions for treatment of demyelinating diseases PMP22, MAG, GMFG PRSS1 3411/4885ST14 3465/4885PRSS2 3457/4885

“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.