SCHEMBL4358559

SCHEMBL4358559

C=CCn1cc[n+](CCCCCC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
HSP90AA1 P07900 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ABCB11 O95342 1/20 0.42
ESR1 P03372 1/20 0.42
PGR P06401 1/20 0.42
CHRM2 P08172 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD1 P21728 1/20 0.42
TBXA2R P21731 1/20 0.42
ACHE P22303 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
PDE4A P27815 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42

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
SCHEMBL3398646 1.00 MEN1 (0.42) MEN1HSP90AA1KMT2ASMN1; SMN2ABCB11
SCHEMBL15901858 1.00 MEN1 (0.42) MEN1HSP90AA1KMT2ASMN1; SMN2ABCB11
SCHEMBL23698403 1.00 MEN1 (0.42) MEN1HSP90AA1KMT2ASMN1; SMN2ABCB11
SCHEMBL2693562 1.00 MEN1 (0.42) MEN1HSP90AA1KMT2ASMN1; SMN2ABCB11
Iodide SCHEMBL2894605 0.98 SMN1; SMN2 (0.42) MEN1HSP90AA1KMT2ASMN1; SMN2ABCB11
Bromide SCHEMBL29770293 0.98 HSP90AA1 (0.44) MEN1HSP90AA1KMT2ASMN1; SMN2CHRM2
Bromide SCHEMBL4362535 0.98 HSP90AA1 (0.44) MEN1HSP90AA1KMT2ASMN1; SMN2CHRM2
Hydrochloric Acid SCHEMBL2900812 0.98 MEN1 (0.43) MEN1HSP90AA1KMT2ASMN1; SMN2ABCB11
SCHEMBL1680333 0.98 MEN1 (0.40) MEN1HSP90AA1KMT2ASMN1; SMN2ABCB11
Bromide SCHEMBL4364809 0.97 MEN1 (0.42) MEN1HSP90AA1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12291506-B2 Method for producing amidate compound, and amidate compound KOEI CHEMICAL COMPANY, LIMITED (JP) 2025-05-06 US disclosed
CN-118290346-A Method for producing amide compound, and amide compound 广荣化学株式会社 2024-07-05 CN disclosed
CN-112703184-B Method for producing amide compound, and amide compound 广荣化学株式会社 2024-06-11 CN disclosed
US-20220048864-A1 METHOD FOR PRODUCING AMIDATE COMPOUND, AND AMIDATE COMPOUND KOEI CHEMICAL COMPANY, LIMITED (JP) 2022-02-17 US disclosed
EP-3858817-A1 METHOD FOR PRODUCING AMIDATE COMPOUND, AND AMIDATE COMPOUND Koei Chemical Company, Limited (JP) 2021-08-04 EP disclosed
CN-112703184-A Process for producing amide compound, and amide compound 广荣化学株式会社 2021-04-23 CN disclosed
WO-2020067431-A1 METHOD FOR PRODUCING AMIDATE COMPOUND, AND AMIDATE COMPOUND 広栄化学工業株式会社 2020-04-02 WO disclosed
US-20160181664-A1 ELECTROLYTE FOR SODIUM ION SECONDARY BATTERY TOYO GOSEI CO., LTD. (JP) 2016-06-23 US disclosed
EP-1721900-B1 NOVEL IMIDAZOLIUM COMPOUND KANTO KAGAKU (JP) 2014-06-11 EP disclosed
US-7517999-B2 needs no complicated operations for dissolution and has excellent handleability and a high ionic conductivity, electrolytes; 1-butyl-3-allylimidazolium bromide KANTO KAGAKU KABUSHIKI KAISHA (JP) 2009-04-14 US disclosed
US-20070191612-A1 Needs no complicated operations for dissolution and has excellent handleability and a high ionic conductivity, electrolytes; 1-butyl-3-allylimidazolium bromide HIROYUKI OHNO (JP) 2007-08-16 US disclosed
EP-1721900-A1 NOVEL IMIDAZOLIUM COMPOUND Kanto Kagaku Kabushiki Kaisha (JP) 2006-11-15 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 (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-12291506-B2 Method for producing amidate compound, and amidate compound NAAA, NIT2, PAM MEN1 55/4885HSP90AA1 4241/4885KMT2A 4207/4885
US-20070191612-A1 Needs no complicated operations for dissolution and has excellent handleability and a high ionic conductivity, electrolytes; 1-butyl-3-allylimidazolium bromide SLC26A3, KCNJ11, SLC26A4 MEN1 636/4885HSP90AA1 3528/4885KMT2A 4733/4885
US-20220048864-A1 METHOD FOR PRODUCING AMIDATE COMPOUND, AND AMIDATE COMPOUND NAAA, NIT2, PAM MEN1 55/4885HSP90AA1 4241/4885KMT2A 4207/4885

“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.