SCHEMBL12085530

SCHEMBL12085530

CCNCCCCNCCCCNCCCCN(CC)C(=O)C(N)CCC(N)=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ PMP22 Q01453 1/20 0.36
▸ PAOX Q6QHF9 2/20 0.35
▸ DPP4 P27487 1/20 0.34
▸ DPP8 Q6V1X1 1/20 0.34
▸ DPP9 Q86TI2 1/20 0.34
▸ CYP2C19 P33261 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ MEN1 O00255 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ DPP7 Q9UHL4 1/20 0.31

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
SCHEMBL14339165 1.00 KMT2A (0.36) KMT2AALOX15BLMPMP22PAOX
SCHEMBL21312920 0.78 ALOX15 (0.46) KMT2AALOX15BLMPMP22DPP4
SCHEMBL5791770 0.78 ALOX15 (0.52) KMT2AALOX15BLMPMP22DPP4
SCHEMBL28494490 0.76 KMT2A (0.43) KMT2AALOX15BLMPMP22CYP2C19
SCHEMBL7907461 0.74 DPP7 (0.42) DPP7
SCHEMBL10891103 0.72 KMT2A (0.48) KMT2AALOX15BLMPMP22DPP4
SCHEMBL6742412 0.72 KMT2A (0.48) KMT2AALOX15BLMPMP22DPP4
SCHEMBL25950295 0.71 CYP2C19 (0.52) KMT2APAOXCYP2C19CYP1A2MEN1
SCHEMBL23929280 0.69 CYP2C19 (0.50) KMT2APAOXCYP2C19CYP1A2MEN1
SCHEMBL16306515 0.69 CYP2C19 (0.50) KMT2APAOXCYP2C19CYP1A2MEN1

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 10 patents. 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-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
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-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
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

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-20150359761-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF DEMYELINATING DISEASES SRM, PMP22, SMS KMT2A 1577/4885ALOX15 1673/4885BLM 1571/4885
US-20140051765-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE BPGM, PYGB, EDNRB KMT2A 3667/4885ALOX15 1623/4885BLM 2975/4885
US-20170290788-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE BPGM, PYGB, EDNRB KMT2A 3667/4885ALOX15 1623/4885BLM 2975/4885
US-20120289604-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE BPGM, PYGB, EDNRB KMT2A 3667/4885ALOX15 1623/4885BLM 2975/4885
US-20110112199-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE BPGM, PYGB, EDNRB KMT2A 3667/4885ALOX15 1623/4885BLM 2975/4885
US-10350178-B2 Methods and compositions for treatment of demyelinating diseases PMP22, MAG, GMFG KMT2A 3249/4885ALOX15 1065/4885BLM 499/4885

“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.

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