SCHEMBL996640

SCHEMBL996640

CCCCC(CN)CCN

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
TDP1 Q9NUW8 1/20 0.68
CYP3A4 P08684 2/20 0.45
TSHR P16473 2/20 0.41
DNM1 Q05193 9/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
EPHX1 P07099 1/20 0.39
LMNA P02545 1/20 0.37

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 0.92 ALDH1A1 (0.58) ALDH1A1TDP1CYP3A4TSHRDNM1
SCHEMBL573837 0.92 ALDH1A1 (0.79) ALDH1A1TDP1CYP3A4TSHRDNM1
SCHEMBL996510 0.90 ALDH1A1 (0.56) ALDH1A1TDP1TSHRDNM1MEN1
SCHEMBL10182894 0.90 ALDH1A1 (0.68) ALDH1A1TDP1CYP3A4TSHRDNM1
SCHEMBL9950032 0.89 ALDH1A1 (0.59) ALDH1A1TDP1CYP3A4TSHRDNM1
SCHEMBL642452 0.89 ALDH1A1 (0.59) ALDH1A1TDP1CYP3A4TSHRDNM1
SCHEMBL8568383 0.88 ALDH1A1 (0.60) ALDH1A1TDP1CYP3A4TSHRDNM1
SCHEMBL17483173 0.87 ALDH1A1 (0.65) ALDH1A1TDP1CYP3A4TSHRDNM1
SCHEMBL23917937 0.86 ALDH1A1 (0.71) ALDH1A1TDP1CYP3A4TSHRDNM1
SCHEMBL18844173 0.86 ALDH1A1 (0.71) ALDH1A1TDP1CYP3A4TSHRDNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105705585-B Additive for improved impact strength and resin combination flexible 埃瑟克斯化学有限责任公司 2018-11-09 CN claimed
CN-106433536-B A kind of double cured epoxy resin vinyl ester resin adhesive for underground engineering fracture plugging reinforcement 湖南固特邦土木技术发展有限公司 2017-12-22 CN claimed
CN-106433536-A Dual-curing epoxy resin-vinyl ester resin adhesive used for leaking stoppage and reinforcement of underground engineering fracture 湖南固特邦土木技术发展有限公司 2017-02-22 CN claimed
CN-103814057-B Henzylate polyamine curing agent 气体产品与化学公司 2016-08-17 CN claimed
CN-105705585-A Additives to resin compositions for improved impact strength and flexibility 埃瑟克斯化学有限责任公司 2016-06-22 CN claimed
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
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
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 (5 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 695/4885CYP3A4 4767/4885
US-20050176828-A1 Hydrophobic polyamine analogs and methods for their use SRM, SMS, HNMT ALDH1A1 2904/4885TDP1 695/4885CYP3A4 4767/4885
US-20050245615-A1 Composition containing polyamine transport inhibitor and use thereof SLC7A1, SRM, SLC16A1 ALDH1A1 1242/4885TDP1 1487/4885CYP3A4 3788/4885
US-20180360783-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF DEMYELINATING DISEASES PMP22, MAG, GMFG ALDH1A1 2637/4885TDP1 743/4885CYP3A4 3950/4885
US-10350178-B2 Methods and compositions for treatment of demyelinating diseases PMP22, MAG, GMFG ALDH1A1 2637/4885TDP1 743/4885CYP3A4 3950/4885

“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.