SCHEMBL3380912

SCHEMBL3380912

COCCNC(=O)c1cc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2cccc(C#N)c2)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 4/20 0.45
KMT2A Q03164 5/20 0.43
MEN1 O00255 2/20 0.43
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
NR1H2 P55055 1/20 0.42
KCNA5 P22460 2/20 0.41
KCNH2 Q12809 1/20 0.41
PTGER1 P34995 1/20 0.41
RORC P51449 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KAT6A Q92794 1/20 0.40
NR3C1 P04150 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
SCHEMBL302783 0.91 SIRT2 (0.45) SIRT2KMT2AMEN1HTTSMN1; SMN2
SCHEMBL303675 0.89 SIRT2 (0.43) SIRT2KMT2AMEN1HTTSMN1; SMN2
SCHEMBL303336 0.87 NR1H2 (0.45) SIRT2KMT2AMEN1HTTSMN1; SMN2
SCHEMBL303335 0.85 NR1H2 (0.45) SIRT2KMT2AMEN1CNR1CNR2
SCHEMBL3377129 0.84 MEN1 (0.55) SIRT2KMT2AMEN1CNR1CNR2
SCHEMBL2186792 0.84 SIRT2 (0.45) SIRT2KMT2AMEN1HTTSMN1; SMN2
SCHEMBL3376406 0.84 SIRT2 (0.44) SIRT2KMT2AMEN1HTTSMN1; SMN2
SCHEMBL3379276 0.83 NR1H2 (0.45) SIRT2KMT2AMEN1HTTSMN1; SMN2
SCHEMBL303674 0.83 SIRT2 (0.44) SIRT2KMT2AMEN1HTTSMN1; SMN2
SCHEMBL3380436 0.81 NR1H2 (0.45) KMT2AMEN1NR1H2RORCALDH1A1

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 12 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

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 SIRT2 1282/4885KMT2A 386/4885MEN1 608/4885
US-20100087428-A1 Novel Potassium Channel Blockers HCN4, SCN2B, KCNH2 SIRT2 1937/4885KMT2A 1511/4885MEN1 2747/4885
US-20150259282-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 SIRT2 1282/4885KMT2A 386/4885MEN1 608/4885

“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.