SCHEMBL21389871

SCHEMBL21389871

CCCCNc1ccc(P(=O)(O)c2ccc(NCCCC)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 2/20 0.47
ABCB11 O95342 1/20 0.47
CYP3A4 P08684 1/20 0.47
ADRA2B P18089 1/20 0.47
OPRD1 P41143 1/20 0.47
LMNA P02545 4/20 0.44
CYP1A2 P05177 1/20 0.44
MAOA P21397 1/20 0.44
CNR1 P21554 1/20 0.44
DRD4 P21917 1/20 0.44
ACHE P22303 1/20 0.44
HRH2 P25021 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
MAPK1 P28482 1/20 0.44
NTSR1 P30989 1/20 0.44
HRH1 P35367 1/20 0.44
DRD3 P35462 1/20 0.44
SCN1A P35498 1/20 0.44
HTR2B P41595 1/20 0.44

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
SCHEMBL21389887 0.89 SCN5A (0.47) SCN5AABCB11CYP3A4ADRA2BOPRD1
SCHEMBL21389873 0.89 LMNA (0.47) SCN5AABCB11CYP3A4ADRA2BOPRD1
SCHEMBL181559 0.80 MAPT (0.52) SCN5AABCB11CYP3A4ADRA2BOPRD1
SCHEMBL20315398 0.78 BLM (0.50) SCN5AABCB11CYP3A4ADRA2BOPRD1
SCHEMBL21389869 0.78 SCN5A (0.47) SCN5AABCB11CYP3A4ADRA2BOPRD1
SCHEMBL21389886 0.78 LMNA (0.46) SCN5AABCB11CYP3A4ADRA2BOPRD1
SCHEMBL39272 0.75 ALDH1A1 (0.50) SCN5AABCB11CYP3A4ADRA2BOPRD1
SCHEMBL30800856 0.74 MAPT (0.46) SCN5AABCB11CYP3A4ADRA2BOPRD1
Bromide SCHEMBL8920602 0.74 PRSS1 (0.46) LMNAGGPS1HDAC3HDAC1HDAC2
SCHEMBL1241959 0.74 ABL1 (0.56) SCN5ALMNACYP1A2MAOACNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10862169-B2 Phosphorus electrolytic solution containing magnesium ions FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2020-12-08 US disclosed
US-20190296396-A1 PHOSPHORUS ELECTROLYTIC SOLUTION CONTAINING MAGNESIUM IONS FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-09-26 US 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-10862169-B2 Phosphorus electrolytic solution containing magnesium ions PEF1, RER1, AFF1 SCN5A 995/4885ABCB11 232/4885CYP3A4 3235/4885
US-20190296396-A1 PHOSPHORUS ELECTROLYTIC SOLUTION CONTAINING MAGNESIUM IONS PEF1, RER1, AFF1 SCN5A 995/4885ABCB11 232/4885CYP3A4 3235/4885

“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.