SCHEMBL20184849

SCHEMBL20184849

C#CC[N+](C)(CCO)CCO

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP3A4 P08684 1/20 0.39
SLC5A7 Q9GZV3 1/20 0.39
BBOX1 O75936 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
HTT P42858 3/20 0.35
RAB9A P51151 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.33
PSMD14 O00487 1/20 0.31
PLA2G1B P04054 1/20 0.31
MMP2 P08253 1/20 0.31
RAD52 P43351 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31
DNM1 Q05193 1/20 0.30

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
SCHEMBL20201348 0.91 SMN1; SMN2 (0.39) LMNAMEN1KMT2ACYP3A4SLC5A7
SCHEMBL22082491 0.86 LMNA (0.33) LMNAMEN1KMT2ACYP3A4SLC5A7
Iodide SCHEMBL22034487 0.84 LMNA (0.32) LMNAMEN1KMT2ACYP3A4SLC5A7
SCHEMBL8995906 0.83 MEN1 (0.53) LMNAMEN1KMT2ACYP3A4SLC5A7
SCHEMBL15761660 0.83 MEN1 (0.53) LMNAMEN1KMT2ACYP3A4SLC5A7
Hydrochloric Acid SCHEMBL15546645 0.80 CYP3A4 (0.59) LMNAMEN1KMT2ACYP3A4SLC5A7
Hydrochloric Acid SCHEMBL15754070 0.80 CYP3A4 (0.59) LMNAMEN1KMT2ACYP3A4SLC5A7
SCHEMBL159367 0.80 MEN1 (0.56) LMNAMEN1KMT2ACYP3A4SLC5A7
SCHEMBL19762872 0.79
Bromide SCHEMBL23877782 0.77 HTT (0.54) LMNAMEN1KMT2ACYP3A4SLC5A7

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-10709130-B2 Clickable antimicrobial molecules and polymers ALEO BME, INC. (US) 2020-07-14 US disclosed
US-20180146665-A1 CLICKABLE ANTIMICROBIAL MOLECULES AND POLYMERS ALEO BME INC (US) 2018-05-31 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-20180146665-A1 CLICKABLE ANTIMICROBIAL MOLECULES AND POLYMERS TMIGD3, HNMT, TLR9 LMNA 1746/4885MEN1 1192/4885KMT2A 217/4885
US-10709130-B2 Clickable antimicrobial molecules and polymers TMIGD3, HNMT, TLR9 LMNA 1746/4885MEN1 1192/4885KMT2A 217/4885

“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.