SCHEMBL3379800

SCHEMBL3379800

O=C(NCCCO)c1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.58
ALDH1A1 P00352 3/20 0.58
TMEM97 Q5BJF2 3/20 0.57
SIGMAR1 Q99720 3/20 0.57
MAPT P10636 4/20 0.55
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
TP53 P04637 1/20 0.51
RAB9A P51151 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
ESR1 P03372 1/20 0.48
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL3377290 0.97 LMNA (0.57) LMNAALDH1A1TMEM97SIGMAR1MAPT
SCHEMBL3380826 0.93 LMNA (0.60) LMNAALDH1A1TMEM97SIGMAR1MAPT
SCHEMBL3380454 0.91 ALDH1A1 (0.58) LMNAALDH1A1TMEM97SIGMAR1MAPT
SCHEMBL302132 0.89 ALDH1A1 (0.65) LMNAALDH1A1TMEM97SIGMAR1MAPT
SCHEMBL3377521 0.88 LMNA (0.59) LMNAALDH1A1TMEM97SIGMAR1MAPT
SCHEMBL2186493 0.86 ALDH1A1 (0.62) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL3378933 0.86 MAPT (0.59) LMNAALDH1A1TMEM97SIGMAR1MAPT
SCHEMBL3376241 0.85 LMNA (0.61) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL302258 0.85 TMEM97 (0.45) LMNAALDH1A1TMEM97SIGMAR1MAPT
SCHEMBL3379886 0.83 LMNA (0.59) LMNAALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2342177-B1 NOVEL POTASSIUM CHANNEL BLOCKERS JAPAN TOBACCO INC (JP) 2017-02-15 EP claimed
US-8673901-B2 Potassium channel blockers XENTION LIMITED (GB) 2014-03-18 US claimed
US-20100087428-A1 Novel Potassium Channel Blockers XENTION LIMITED (GB) 2010-04-08 US claimed
EP-2342177-B1 NOVEL POTASSIUM CHANNEL BLOCKERS JAPAN TOBACCO INC (JP) 2017-02-15 EP disclosed
US-9447033-B2 Potassium channel blockers JAPAN TOBACCO INC. (JP) 2016-09-20 US disclosed
US-20150259282-A1 Potassium Channel Blockers XENTION LIMITED (GB) 2015-09-17 US disclosed
US-9073834-B2 Potassium channel blockers XENTION LIMITED (GB) 2015-07-07 US disclosed
US-20140221337-A1 Potassium Channel Blockers XENTION LIMITED (GB) 2014-08-07 US disclosed
US-8673901-B2 Potassium channel blockers XENTION LIMITED (GB) 2014-03-18 US disclosed
US-20100087428-A1 Novel Potassium Channel Blockers XENTION LIMITED (GB) 2010-04-08 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 (3 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-20140221337-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 LMNA 1619/4885ALDH1A1 1360/4885TMEM97 1063/4885
US-20100087428-A1 Novel Potassium Channel Blockers HCN4, SCN2B, KCNH2 LMNA 2145/4885ALDH1A1 3795/4885TMEM97 585/4885
US-20150259282-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 LMNA 1619/4885ALDH1A1 1360/4885TMEM97 1063/4885

“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.