SCHEMBL996510

SCHEMBL996510

CCCCCCC(CN)CCN

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
LMNA P02545 1/20 0.50
DNM1 Q05193 8/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TSHR P16473 1/20 0.48
EPHX1 P07099 1/20 0.48
SPHK1 Q9NYA1 1/20 0.45
OPRM1 P35372 1/20 0.42
RRM1 P23921 1/20 0.39

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
SCHEMBL996518 0.98 ALDH1A1 (0.58) ALDH1A1TDP1LMNADNM1MEN1
SCHEMBL20495968 0.93 ALDH1A1 (0.64) ALDH1A1TDP1LMNADNM1MEN1
SCHEMBL22342116 0.93 ALDH1A1 (0.64) ALDH1A1TDP1LMNADNM1MEN1
SCHEMBL4566012 0.93 ALDH1A1 (0.64) ALDH1A1TDP1LMNADNM1MEN1
SCHEMBL24200454 0.93 ALDH1A1 (0.64) ALDH1A1TDP1LMNADNM1MEN1
SCHEMBL24684882 0.93 ALDH1A1 (0.64) ALDH1A1TDP1LMNADNM1MEN1
SCHEMBL20495959 0.93 ALDH1A1 (0.64) ALDH1A1TDP1LMNADNM1MEN1
SCHEMBL22658086 0.93 ALDH1A1 (0.64) ALDH1A1TDP1LMNADNM1MEN1
SCHEMBL22766465 0.93 ALDH1A1 (0.64) ALDH1A1TDP1LMNADNM1MEN1
SCHEMBL10383392 0.93 ALDH1A1 (0.64) ALDH1A1TDP1LMNADNM1MEN1

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 38 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
CN-107163904-B Hot melt adhesive consisting of high molecular weight polyamide resin, low molecular weight polyamide resin and grafted polyolefin resin and preparation method thereof 南通协鑫热熔胶有限公司 2020-08-04 CN 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
CN-104997762-B Oral delivery drug comprising MGBG and the method for treating disease 帕萨罗杰卡有限公司 2019-03-08 CN disclosed
CN-109432073-A Purposes of the MGBG in the drug that preparation treats or prevents progressive MS and its progress 帕萨罗杰卡有限公司 2019-03-08 CN 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
CN-105163730-B Methods and compositions for treating demyelinating diseases 帕萨罗杰卡有限公司 2018-10-30 CN disclosed
US-10085955-B2 Methods and compositions for treatment of demyelinating diseases PATHOLOGICA LLC (US) 2018-10-02 US disclosed
CN-100582084-C Hydrophobic polyamine analogs and methods for their use MEDICKEST THERAPY CORP 2010-01-20 CN disclosed
US-7432302-B2 Composition containing polyamine transport inhibitor and use thereof MEDIQUEST THERAPEUTICS, INC. (US) 2008-10-07 US disclosed
EP-1373185-A4 HYDROPHOBIC POLYAMINE ANALOGS AND METHODS FOR THEIR USE MEDIQUEST THERAPEUTICS INC (US) 2005-12-07 EP disclosed
US-6963010-B2 Anticancer agents; osteoporosis; autoimmune disease MEDIQUEST THERAPEUTICS, INC. (US) 2005-11-08 US disclosed
US-20050245615-A1 Composition containing polyamine transport inhibitor and use thereof MEDIQUEST THERAPEUTICS, INC. (US) 2005-11-03 US disclosed
US-20050176828-A1 Hydrophobic polyamine analogs and methods for their use MEDIQUEST THERAPEUTICS, INC. (US) 2005-08-11 US disclosed
CN-1511137-A Hydrophobic polyamine analogs and methods of use thereof 麦迪凯斯特治疗学股份有限公司 2004-07-07 CN disclosed
EP-1373185-A2 HYDROPHOBIC POLYAMINE ANALOGS AND METHODS FOR THEIR USE Mediquest Therapeutics, Inc. (US) 2004-01-02 EP disclosed
US-20030187276-A1 Hydrophobic polyamine analogs and methods for their use AMINEX THERAPEUTICS, INC. 2003-10-02 US disclosed
WO-2002053519-A2 HYDROPHOBIC POLYAMINE ANALOGS AND METHODS FOR THEIR USE MEDIQUEST THERAPEUTICS, INC. (US) 2002-07-11 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-20030187276-A1 Hydrophobic polyamine analogs and methods for their use SRM, SMS, HNMT ALDH1A1 2904/4885TDP1 695/4885LMNA 1571/4885
US-10085955-B2 Methods and compositions for treatment of demyelinating diseases SRM, PMP22, SMS ALDH1A1 2747/4885TDP1 247/4885LMNA 1715/4885
US-20050176828-A1 Hydrophobic polyamine analogs and methods for their use SRM, SMS, HNMT ALDH1A1 2904/4885TDP1 695/4885LMNA 1571/4885
US-20050245615-A1 Composition containing polyamine transport inhibitor and use thereof SLC7A1, SRM, SLC16A1 ALDH1A1 1242/4885TDP1 1487/4885LMNA 2140/4885
US-20180360783-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF DEMYELINATING DISEASES PMP22, MAG, GMFG ALDH1A1 2637/4885TDP1 743/4885LMNA 2354/4885
US-10350178-B2 Methods and compositions for treatment of demyelinating diseases PMP22, MAG, GMFG ALDH1A1 2637/4885TDP1 743/4885LMNA 2354/4885

“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.