SCHEMBL20201348

SCHEMBL20201348

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 3/20 0.39
LMNA P02545 3/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
DNM1 Q05193 2/20 0.34
PSMD14 O00487 1/20 0.34
PLA2G1B P04054 1/20 0.34
MMP2 P08253 1/20 0.34
RAD52 P43351 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
CYP3A4 P08684 1/20 0.33
SLC5A7 Q9GZV3 1/20 0.33
BBOX1 O75936 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
SCHEMBL20184849 0.91 LMNA (0.39) SMN1; SMN2HTTLMNARAB9AMEN1
SCHEMBL10257054 0.89 SMN1; SMN2 (0.46) SMN1; SMN2HTTLMNARAB9AMEN1
SCHEMBL16587588 0.84 SMN1; SMN2 (0.46) SMN1; SMN2HTTLMNARAB9AMEN1
SCHEMBL15034040 0.83 LMNA (0.45) SMN1; SMN2LMNAMEN1KMT2ADNM1
Bromide SCHEMBL30645628 0.81 MEN1 (0.50) SMN1; SMN2LMNAMEN1KMT2ADNM1
Hydrochloric Acid SCHEMBL28002637 0.81 CYP3A4 (0.50) SMN1; SMN2LMNAMEN1KMT2ADNM1
SCHEMBL22082491 0.78 LMNA (0.33) SMN1; SMN2HTTLMNARAB9AMEN1
Iodide SCHEMBL22034487 0.77 LMNA (0.32) SMN1; SMN2HTTLMNARAB9AMEN1
SCHEMBL8995906 0.75 MEN1 (0.53) LMNAMEN1KMT2ADNM1PSMD14
SCHEMBL15761660 0.75 MEN1 (0.53) LMNAMEN1KMT2ADNM1PSMD14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 SMN1; SMN2 3651/4885HTT 913/4885LMNA 1746/4885

“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.