SCHEMBL3350100

SCHEMBL3350100

NC(=O)CCC(=O)N(c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
NPSR1 Q6W5P4 2/20 0.57
HTT P42858 2/20 0.57
POLB P06746 1/20 0.57
KMT2A Q03164 1/20 0.57
TRPM8 Q7Z2W7 2/20 0.44
TP53 P04637 1/20 0.42
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CACNA2D1 P54289 1/20 0.40
CACNA1B Q00975 1/20 0.40
CACNB1 Q02641 1/20 0.40
CACNA1C Q13936 1/20 0.40
GLA P06280 2/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL4138868 0.90 NPSR1 (0.55) ALDH1A1NPC1RAB9ANPSR1HTT
SCHEMBL1769746 0.89 NPSR1 (0.53) ALDH1A1NPC1RAB9ANPSR1HTT
SCHEMBL10596450 0.89 NPSR1 (0.53) ALDH1A1NPC1RAB9ANPSR1HTT
SCHEMBL8854160 0.83 RAB9A (0.61) ALDH1A1NPC1RAB9ANPSR1HTT
SCHEMBL9471405 0.83 ALDH1A1 (0.61) ALDH1A1NPC1RAB9ANPSR1HTT
SCHEMBL28304342 0.82 CA2 (0.44) ALDH1A1NPC1RAB9ANPSR1HTT
SCHEMBL830792 0.82 ALDH1A1 (0.59) ALDH1A1NPC1RAB9ANPSR1HTT
SCHEMBL6673813 0.81 NPSR1 (0.63) ALDH1A1NPC1RAB9ANPSR1HTT
SCHEMBL7385251 0.81 KMT2A (0.50) ALDH1A1NPC1RAB9ANPSR1POLB
SCHEMBL629972 0.79 NPSR1 (0.61) ALDH1A1NPC1RAB9ANPSR1HTT

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116425904-A Supported Ziegler-Natta catalyst and preparation method and application thereof 山东京博石油化工有限公司 2023-07-14 CN claimed
CN-114316447-A TPV material for vehicle and preparation method and application thereof 东风汽车集团股份有限公司 2022-04-12 CN claimed
EP-1453789-A2 N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES Elan Pharmaceuticals, Inc. (US) 2004-09-08 EP claimed
WO-2003040096-A2 N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2003-05-15 WO claimed
CN-116425904-A Supported Ziegler-Natta catalyst and preparation method and application thereof 山东京博石油化工有限公司 2023-07-14 CN disclosed
CN-114316447-B TPV material for vehicle and preparation method and application thereof 东风汽车集团股份有限公司 2023-03-28 CN disclosed
CN-114316447-A TPV material for vehicle and preparation method and application thereof 东风汽车集团股份有限公司 2022-04-12 CN disclosed
CN-107841036-B Polypropylene composition, polypropylene material and application thereof 中国石油化工股份有限公司 2020-06-30 CN disclosed
CN-107841054-B Polypropylene composition, polypropylene material and application thereof 中国石油化工股份有限公司 2020-06-30 CN disclosed
WO-2019005563-A1 METHODS RELATED TO ACTIVATION OF THE BONE MORPHOGENIC PROTEIN SIGNALING PATHWAY ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2019-01-03 WO disclosed
CN-105566746-B A kind of polypropene composition and polypropylene material and its application 中国石油化工股份有限公司 2018-07-06 CN disclosed
CN-107841036-A A kind of polypropene composition and polypropylene material and its application 中国石油化工股份有限公司 2018-03-27 CN disclosed
CN-107841054-A A kind of polypropene composition and polypropylene material and its application 中国石油化工股份有限公司 2018-03-27 CN disclosed
CN-107312239-A A kind of polypropene composition and polypropylene material 中国石油化工股份有限公司 2017-11-03 CN disclosed
CN-104558821-B A kind of polypropene composition and polypropylene material and its application 中国石油化工股份有限公司 2017-08-11 CN disclosed
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-20090131657-A1 PROCESS FOR ALKENYLATING CARBOXAMIDES BASF SE (DE) 2009-05-21 US disclosed
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2007-09-13 US disclosed
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 US disclosed
EP-0155194-A2 Thermoplastic resin compositions having improved moldability MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1985-09-18 EP 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 (2 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-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease BACE1, BACE2, APP ALDH1A1 2133/4885NPC1 593/4885RAB9A 874/4885
US-20090131657-A1 PROCESS FOR ALKENYLATING CARBOXAMIDES PRMT5, CYC1, CBR3 ALDH1A1 1506/4885NPC1 3667/4885RAB9A 3925/4885

“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.