SCHEMBL1968022

SCHEMBL1968022

O=C1COc2ccc(S(=O)(=O)N(Cc3ccccc3)c3cccc(N4CCCC4=O)c3)cc2N1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
DRD3 P35462 2/20 0.45
HTR1A P08908 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR7 P34969 1/20 0.45
HTR6 P50406 1/20 0.45
POLB P06746 1/20 0.45
TP53 P04637 2/20 0.44
PKM P14618 2/20 0.44
PRNP P04156 1/20 0.44
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
PARP1 P09874 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NR3C2 P08235 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
SCHEMBL306481 0.86 PARP1 (0.42) KMT2AMEN1POLBPKMPRNP
SCHEMBL303627 0.81 HTR2C (0.39) KMT2AMEN1DRD3HTR1AHTR2A
SCHEMBL1966251 0.80 HTR2C (0.49) KMT2ADRD3HTR1AHTR2AHTR2C
SCHEMBL1966404 0.78 DRD4 (0.51) KMT2AMEN1DRD3HTR1AHTR2A
SCHEMBL302217 0.77 HTR2C (0.47) KMT2AMEN1DRD3HTR1AHTR2A
SCHEMBL3378020 0.76 MEN1 (0.55) KMT2AMEN1POLBPKMPRNP
SCHEMBL3275899 0.75 HTR2C (0.49) DRD3HTR1AHTR2AHTR2CHTR7
SCHEMBL304739 0.74 CNR2 (0.43) KMT2AMEN1DRD3HTR1AHTR2A
SCHEMBL303525 0.71 KMT2A (0.53) KMT2AMEN1POLBTP53PKM
SCHEMBL3275051 0.71 HTR2C (0.45) KMT2AMEN1DRD3HTR1AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2334637-B1 NOVEL POTASSIUM CHANNEL BLOCKERS JAPAN TOBACCO INC (JP) 2017-01-04 EP claimed
US-8372840-B2 Potassium channel blockers XENTION LIMITED (GB) 2013-02-12 US claimed
US-20100087438-A1 New Potassium Channel Blockers XENTION LIMITED (GB) 2010-04-08 US claimed
EP-2334637-B1 NOVEL POTASSIUM CHANNEL BLOCKERS JAPAN TOBACCO INC (JP) 2017-01-04 EP disclosed
US-8372840-B2 Potassium channel blockers XENTION LIMITED (GB) 2013-02-12 US disclosed
EP-2334637-A1 NOVEL POTASSIUM CHANNEL BLOCKERS Xention Limited (GB) 2011-06-22 EP disclosed
US-20100087438-A1 New Potassium Channel Blockers XENTION LIMITED (GB) 2010-04-08 US disclosed
WO-2010023446-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 (1 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-20100087438-A1 New Potassium Channel Blockers KCNJ2, KCNB1, KCNJ11 KMT2A 836/4885MEN1 960/4885DRD3 928/4885

“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.