SCHEMBL5429111

SCHEMBL5429111

CCCc1c(NCC)c(NCC)c(N2CCCC2=O)c(C)c1C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA3 P07451 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA6 P23280 1/20 0.33
▸ CA5A P35218 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA13 Q8N1Q1 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ CA5B Q9Y2D0 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ TP53 P04637 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL5426403 0.80 CYP1A2 (0.35) KMT2AMEN1USP2HSD17B10ALDH1A1
SCHEMBL5186125 0.72 HSD17B10 (0.40) LMNAKMT2AMEN1CA12CA1
SCHEMBL5184629 0.72 HSD17B10 (0.38) L3MBTL1USP2TP53HSD17B10ALDH1A1
SCHEMBL5429108 0.71 LRRK2 (0.43) LMNACA12CA1CA2CA3
SCHEMBL5434946 0.67 NPC1 (0.43) USP2ALDH1A1PKMTSHRCYP1A2
SCHEMBL5443590 0.66 CTSD (0.35) LMNAL3MBTL1KMT2AMEN1USP2
SCHEMBL5434944 0.66 CYP1A2 (0.42) MAPK1LRRK2CYP1A2
SCHEMBL3187893 0.64 LMNA (0.39) LMNACA12CA1CA2CA3
SCHEMBL5379267 0.62 CTSD (0.54) KMT2AMEN1
SCHEMBL5385464 0.61 ALDH1A1 (0.47) KMT2AMEN1USP2TP53HSD17B10

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-7253198-B2 Hydroxyethylamine derivatives for the treatment of Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-08-07 — — US disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 — — 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-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 LMNA 1062/4885L3MBTL1 3624/4885KMT2A 300/4885

“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.

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