SCHEMBL21049558

SCHEMBL21049558

CCCCCCCN1C=NCC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 3/20 0.37
GNAO1 P09471 3/20 0.37
GNAI1 P63096 3/20 0.37
TBXAS1 P24557 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGS1 P23219 3/20 0.34
PTGS2 P35354 3/20 0.34
MGLL Q99685 2/20 0.34
FAAH O00519 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.33
EBP Q15125 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL107098 1.00 GNAI3 (0.37) GNAI3GNAO1GNAI1TBXAS1MEN1
SCHEMBL11652283 1.00 GNAI3 (0.37) GNAI3GNAO1GNAI1TBXAS1MEN1
SCHEMBL1138502 1.00 GNAI3 (0.37) GNAI3GNAO1GNAI1TBXAS1MEN1
SCHEMBL10431497 1.00 GNAI3 (0.37) GNAI3GNAO1GNAI1TBXAS1MEN1
SCHEMBL9814327 1.00 GNAI3 (0.37) GNAI3GNAO1GNAI1TBXAS1MEN1
SCHEMBL11250645 1.00 GNAI3 (0.37) GNAI3GNAO1GNAI1TBXAS1MEN1
SCHEMBL108012 1.00 GNAI3 (0.37) GNAI3GNAO1GNAI1TBXAS1MEN1
SCHEMBL750715 1.00 GNAI3 (0.37) GNAI3GNAO1GNAI1TBXAS1MEN1
SCHEMBL2952614 1.00 GNAI3 (0.37) GNAI3GNAO1GNAI1TBXAS1MEN1
SCHEMBL2949529 1.00 GNAI3 (0.37) GNAI3GNAO1GNAI1TBXAS1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109704626-A The poly-carboxylic-acid cement grinding aid and preparation method thereof that Organic fluoride modifying glycol amine replaces 湖南辰砾新材料有限公司 2019-05-03 CN claimed
CN-109627374-A A kind of linear expansion coefficient it is low have can viscosity can polytetrafluoroethylene (PTFE) material and preparation method thereof 湖南辰砾新材料有限公司 2019-04-16 CN claimed
CN-109468102-A One kind is based on polyaniline-modified nano-silver thread bi-component epoxide-resin high-effective conductive glue and preparation method thereof 刘鹏 2019-03-15 CN claimed
CN-109563050-B Amide salt compound, catalyst for polyurethane production and method for producing polyurethane resin 广荣化学株式会社 2023-06-02 CN disclosed
CN-110475765-B Preparation method of amide compound 广荣化学株式会社 2023-04-07 CN disclosed
EP-3604287-B1 PRODUCTION METHOD FOR AMIDATE COMPOUND KOEI CHEMICAL CO (JP) 2022-08-03 EP disclosed
EP-3495353-B1 AMIDATE COMPOUND, CATALYST FOR POLYURETHANE PRODUCTION, AND METHOD FOR PRODUCING POLYURETHANE RESIN KOEI CHEMICAL CO (JP) 2021-11-17 EP disclosed
US-10913724-B2 Production method for amidate compound KOEI CHEMICAL COMPANY, LIMITED (JP) 2021-02-09 US disclosed
US-10689478-B2 Amidate compound, catalyst for polyurethane production, and method for producing polyurethane resin KOEI CHEMICAL COMPANY, LIMITED (JP) 2020-06-23 US disclosed
EP-3604287-A1 PRODUCTION METHOD FOR AMIDATE COMPOUND Koei Chemical Company, Limited (JP) 2020-02-05 EP disclosed
CN-110475765-A The preparation method of amides compound KOEI CHEMICAL CO 2019-11-19 CN disclosed
US-20190177464-A1 AMIDATE COMPOUND, CATALYST FOR POLYURETHANE PRODUCTION, AND METHOD FOR PRODUCING POLYURETHANE RESIN KOEI CHEMICAL COMPANY, LIMITED (JP) 2019-06-13 US disclosed
EP-3495353-A1 AMIDATE COMPOUND, CATALYST FOR POLYURETHANE PRODUCTION, AND METHOD FOR PRODUCING POLYURETHANE RESIN Koei Chemical Company, Limited (JP) 2019-06-12 EP disclosed
CN-107056640-B One kind is low to steep double salt-free imidazoline surfactants of alkyl and its synthetic method 上海发凯化工有限公司 2019-06-11 CN disclosed
CN-109704626-A The poly-carboxylic-acid cement grinding aid and preparation method thereof that Organic fluoride modifying glycol amine replaces 湖南辰砾新材料有限公司 2019-05-03 CN disclosed
CN-109627374-A A kind of linear expansion coefficient it is low have can viscosity can polytetrafluoroethylene (PTFE) material and preparation method thereof 湖南辰砾新材料有限公司 2019-04-16 CN disclosed
CN-109563050-A Amide salt compound, for the catalyst of polyurethane production and the production method of polyurethane resin 广荣化学工业株式会社 2019-04-02 CN disclosed
CN-109468102-A One kind is based on polyaniline-modified nano-silver thread bi-component epoxide-resin high-effective conductive glue and preparation method thereof 刘鹏 2019-03-15 CN disclosed
CN-107056640-A A kind of double salt-free imidazoline surfactants of alkyl of low bubble and its synthetic method 上海发凯化工有限公司 2017-08-18 CN 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 (3 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-10913724-B2 Production method for amidate compound NAAA, PAM, CCKBR GNAI3 2442/4885GNAO1 755/4885GNAI1 2902/4885
US-10689478-B2 Amidate compound, catalyst for polyurethane production, and method for producing polyurethane resin ARG1, NIT2, RER1 GNAI3 4348/4885GNAO1 2310/4885GNAI1 4136/4885
US-20190177464-A1 AMIDATE COMPOUND, CATALYST FOR POLYURETHANE PRODUCTION, AND METHOD FOR PRODUCING POLYURETHANE RESIN ARG1, NIT2, RER1 GNAI3 4348/4885GNAO1 2310/4885GNAI1 4136/4885

“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.