SCHEMBL3377040

SCHEMBL3377040

CN1CCOc2cc(S(=O)(=O)N(Cc3ccccc3)c3cccc(C(=O)N4CCOCC4)c3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
KMT2A Q03164 3/20 0.45
HPGD P15428 2/20 0.45
ALDH1A1 P00352 5/20 0.45
PKM P14618 1/20 0.44
EP300 Q09472 1/20 0.44
HIF1A Q16665 1/20 0.44
HTR1A P08908 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR7 P34969 1/20 0.43
DRD3 P35462 1/20 0.43
HTR6 P50406 1/20 0.43
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 2/20 0.42
MEN1 O00255 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41

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
SCHEMBL2213840 0.88 TSHR (0.53) LMNAKMT2AHPGDALDH1A1PKM
SCHEMBL3374237 0.85 HPGD (0.52) LMNAKMT2AHPGDALDH1A1TSHR
SCHEMBL302774 0.85 HTR2C (0.58) HPGDALDH1A1EP300HIF1AHTR1A
SCHEMBL3378121 0.85 MAPT (0.46) LMNAKMT2AALDH1A1HTR1AHTR2A
SCHEMBL3377152 0.84 LMNA (0.60) LMNAKMT2AHPGDALDH1A1PKM
SCHEMBL302059 0.82 LMNA (0.52) LMNAKMT2AHPGDALDH1A1PKM
SCHEMBL3377457 0.79 MAPT (0.40) LMNAKMT2AALDH1A1EP300HIF1A
SCHEMBL2189008 0.78 LMNA (0.49) LMNAKMT2AHPGDALDH1A1PKM
SCHEMBL3377105 0.77 ALDH1A1 (0.49) LMNAKMT2AHPGDALDH1A1TSHR
SCHEMBL303713 0.77 SLC6A12 (0.46) LMNAKMT2AHPGDALDH1A1MEN1

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 13 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-9073834-B2 Potassium channel blockers XENTION LIMITED (GB) 2015-07-07 US claimed
US-20140221337-A1 Potassium Channel Blockers XENTION LIMITED (GB) 2014-08-07 US claimed
US-20100087428-A1 Novel Potassium Channel Blockers XENTION LIMITED (GB) 2010-04-08 US claimed
WO-2010023448-A1 NOVEL POTASSIUM CHANNEL BLOCKERS XENTION LIMITED (GB) 2010-03-04 WO 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
WO-2010023448-A1 NOVEL POTASSIUM CHANNEL BLOCKERS XENTION LIMITED (GB) 2010-03-04 WO 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 1619/4885KMT2A 386/4885HPGD 3708/4885
US-20100087428-A1 Novel Potassium Channel Blockers HCN4, SCN2B, KCNH2 LMNA 2145/4885KMT2A 1511/4885HPGD 3196/4885
US-20150259282-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 LMNA 1619/4885KMT2A 386/4885HPGD 3708/4885

“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.