SCHEMBL18784281

SCHEMBL18784281

CCCCCC=CCC=CCCCCCCCCOCCCC1(CCCOCCCCCCCCC=CCC=CCCCCC)CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.46
ALDH1A1 P00352 3/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
ACHE P22303 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL18784278 1.00 PKM (0.46) PKMALDH1A1POLBLMNAKMT2A
SCHEMBL18784364 0.96 PKM (0.46) PKMALDH1A1POLBLMNAKMT2A
SCHEMBL18784365 0.96 PKM (0.46) PKMALDH1A1POLBLMNAKMT2A
SCHEMBL18784286 0.80 KMT2A (0.39) PKMALDH1A1POLBLMNAKMT2A
SCHEMBL18784283 0.80 KMT2A (0.39) PKMALDH1A1POLBLMNAKMT2A
SCHEMBL21219270 0.74 MEN1 (0.42) PKMKMT2AMEN1GAA
SCHEMBL21219288 0.74 TBXA2R (0.40) ALDH1A1LMNAKMT2AMEN1
SCHEMBL18784328 0.73 ALDH1A1 (0.42) ALDH1A1
SCHEMBL18784331 0.73 ALDH1A1 (0.42) ALDH1A1
SCHEMBL862348 0.72 PKM (0.58) PKMALDH1A1POLBLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3162794-B1 ALKYL SUBSTITUTED AZETIDINES AS CATIONIC LIPID KYOWA KIRIN CO LTD (JP) 2020-09-16 EP disclosed
US-20170224619-A1 CATIONIC LIPID KYOWA HAKKO KIRIN CO., LTD. (JP) 2017-08-10 US disclosed
EP-3162794-A1 CATIONIC LIPID Kyowa Hakko Kirin Co., Ltd. (JP) 2017-05-03 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 (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-20170224619-A1 CATIONIC LIPID NPC1L1, NPC1, SGMS1 PKM 4115/4885ALDH1A1 3134/4885POLB 819/4885

“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.