SCHEMBL406942

SCHEMBL406942

CC(=O)NCCCC(=O)N(C)C

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ HIF1A Q16665 1/20 0.56
▸ ALDH1A1 P00352 3/20 0.52
▸ ADRA1A P35348 1/20 0.50
▸ PAOX Q6QHF9 3/20 0.47
▸ CHRNB2 P17787 1/20 0.44
▸ CHRNB4 P30926 1/20 0.44
▸ CHRNA4 P43681 1/20 0.44
▸ TSHR P16473 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ FOLH1 Q04609 1/20 0.37
▸ MTNR1A P48039 3/20 0.36
▸ MTNR1B P49286 3/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL16303450 0.94 KDM4E (0.60) KDM4EMAPK1HIF1AALDH1A1ADRA1A
SCHEMBL9787817 0.92 KDM4E (0.64) KDM4EMAPK1HIF1AALDH1A1ADRA1A
SCHEMBL12662715 0.86 KDM4E (0.48) KDM4EMAPK1HIF1AALDH1A1ADRA1A
SCHEMBL3293381 0.83 ALDH1A1 (0.52) KDM4EMAPK1HIF1AALDH1A1ADRA1A
SCHEMBL14365830 0.79 ALDH1A1 (0.48) ALDH1A1CHRNB2CHRNB4CHRNA4HTT
SCHEMBL408247 0.77 ALDH1A1 (0.56) ALDH1A1CHRNB2CHRNB4CHRNA4HTT
SCHEMBL3292427 0.77 ALDH1A1 (0.50) KDM4EMAPK1HIF1AALDH1A1ADRA1A
SCHEMBL1687734 0.77 KDM4E (0.67) KDM4EMAPK1HIF1AALDH1A1ADRA1A
SCHEMBL27941457 0.77 KDM4E (0.67) KDM4EMAPK1HIF1AALDH1A1ADRA1A
SCHEMBL23901259 0.76 ADRA1A (0.58) KDM4EMAPK1HIF1AADRA1APAOX

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-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 — — US disclosed
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 — — 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-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND DGAT1, DGAT2, DIMT1 KDM4E 3060/4885MAPK1 2553/4885HIF1A 3495/4885
US-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT KDM4E 2452/4885MAPK1 2805/4885HIF1A 2417/4885

“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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