SCHEMBL26577967

SCHEMBL26577967

C[N+]1(C)CCN(CC(=O)NN)CC[N+](C)(C)CC[N+](C)(C)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 6/20 0.36
CHRM5 P08912 1/20 0.35
CHRM3 P20309 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
CTSD P07339 1/20 0.33
PKM P14618 1/20 0.33
GAA P10253 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 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
SCHEMBL13687323 0.80 MAPT (0.48) KDM4EMAPTPOLBHTTALDH1A1
SCHEMBL2825299 0.76 MAPT (0.61) KDM4EMAPTPOLBHTTALDH1A1
SCHEMBL16367153 0.75 ALDH1A1 (0.42) KDM4EPOLBALDH1A1CHRM5CHRM3
SCHEMBL8613123 0.75 SIGMAR1 (0.51) KDM4EMAPTPOLBHTTALDH1A1
SCHEMBL13051492 0.74 HSD17B10 (0.48) KDM4EPOLBCHRM5CHRM3SMN1; SMN2
SCHEMBL4089872 0.74 MAPT (0.64) KDM4EMAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL4080193 0.74 MAPT (0.64) KDM4EMAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL19311997 0.73 ALDH1A1 (0.47) KDM4EPOLBALDH1A1CHRM5CHRM3
SCHEMBL24003473 0.72 KDM4E (0.52) KDM4EMAPTPOLBHTTALDH1A1
SCHEMBL20881929 0.72 HSD17B10 (0.47) KDM4EMAPTPOLBHTTALDH1A1

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-11794161-B1 Reduced permeability microcapsules TRUCAPSOL, LLC (US) 2023-10-24 US disclosed
US-20230330615-A1 MICROCAPSULES COMPRISING NATURAL MATERIALS ALTER DOMUS (US) LLC 2023-10-19 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-11794161-B1 Reduced permeability microcapsules CHMP4B, NSF, ACR KDM4E 2666/4885MAPT 1409/4885POLB 3103/4885
US-20230330615-A1 MICROCAPSULES COMPRISING NATURAL MATERIALS RCC1, SAMM50, LIPA KDM4E 3016/4885MAPT 1394/4885POLB 2567/4885

“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.