SCHEMBL3376403

SCHEMBL3376403

Cn1cc(S(=O)(=O)OCc2ccccc2)nc1-c1ccc(C(N)=O)cc1C(=O)N1CCN(c2ccccc2F)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.42
PARP14 Q460N5 1/20 0.42
PARP10 Q53GL7 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
SLC6A9 P48067 2/20 0.41
HSP90AA1 P07900 1/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 1/20 0.39
THRB P10828 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL3378338 0.83 CNR1 (0.37) LMNA
SCHEMBL303615 0.82 CHEK2 (0.37) PARP14PARP10SMN1; SMN2MAPTKDM4E
SCHEMBL3274290 0.77 PARP10 (0.36) PARP10SMN1; SMN2MAPTKDM4ELMNA
SCHEMBL3377139 0.72 SMN1; SMN2 (0.56) PARP14PARP10SMN1; SMN2TSHRL3MBTL1
SCHEMBL4425451 0.64 SLC6A9 (0.88) SMN1; SMN2SLC6A9TSHRKDM4EALOX15
SCHEMBL4424609 0.63 SLC6A9 (0.72) SMN1; SMN2SLC6A9TSHRKDM4EALOX15
SCHEMBL7143248 0.62 KMT2A (0.62) SMN1; SMN2TSHRL3MBTL1MAPTKDM4E
SCHEMBL3275527 0.61 LMNA (0.51) TP53SMN1; SMN2TSHRMAPTKDM4E
SCHEMBL26620868 0.61 KDM4E (0.72) SMN1; SMN2TSHRMAPTKDM4EALOX15
SCHEMBL4435029 0.61 SLC6A9 (0.78) SMN1; SMN2SLC6A9TSHR

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 11 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
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 TP53 4632/4885PARP14 1195/4885PARP10 1052/4885
US-20100087428-A1 Novel Potassium Channel Blockers HCN4, SCN2B, KCNH2 TP53 4871/4885PARP14 3364/4885PARP10 3415/4885
US-20150259282-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 TP53 4632/4885PARP14 1195/4885PARP10 1052/4885

“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.