SCHEMBL4067339

SCHEMBL4067339

CN(C)C=Nc1cccnc1S(=O)(=O)c1ccc2cc(-c3ccc(F)cc3)ccc2c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 1/20 0.36
PIK3CA P42336 3/20 0.35
NFE2L2 Q16236 4/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
COMT P21964 1/20 0.34
HTR6 P50406 2/20 0.33
CYP3A4 P08684 1/20 0.33
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32

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
SCHEMBL4067334 1.00 KDM4E (0.36) KDM4EALDH1A1PIK3CANFE2L2KMT2A
SCHEMBL4068413 0.77 NFE2L2 (0.45) KDM4EPIK3CANFE2L2COMT
SCHEMBL4484230 0.74 HTR2A (0.44) KDM4EPIK3CANFE2L2MAPTSMN1; SMN2
SCHEMBL4073466 0.74 HTR2A (0.44) KDM4EPIK3CANFE2L2MAPTSMN1; SMN2
SCHEMBL4071902 0.74 HTR2A (0.44) KDM4EPIK3CANFE2L2MAPTSMN1; SMN2
SCHEMBL4072070 0.74 MEN1 (0.57) ALDH1A1PIK3CANFE2L2KMT2AMEN1
SCHEMBL4067398 0.73 NFE2L2 (0.35) KDM4EPIK3CANFE2L2KMT2AMEN1
SCHEMBL4067402 0.73 NFE2L2 (0.35) KDM4EPIK3CANFE2L2KMT2AMEN1
SCHEMBL4067400 0.73 NFE2L2 (0.35) KDM4EPIK3CANFE2L2KMT2AMEN1
SCHEMBL4074964 0.71 NFE2L2 (0.34) KDM4EPIK3CANFE2L2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592456-B2 Arylsulfonylnaphthalene derivatives as 5HT2A antagonists MERCK SHARP & DOHME LIMITED (GB) 2009-09-22 US claimed
US-20070281952-A1 Arylsulfonylnaphthalene Derivatives As 5Ht2a Antagonists MERCK SHARPE & DOHME LIMITED (GB) 2007-12-06 US claimed
US-7592456-B2 Arylsulfonylnaphthalene derivatives as 5HT2A antagonists MERCK SHARP & DOHME LIMITED (GB) 2009-09-22 US disclosed
EP-1824817-B1 ARYLSULFONYLNAPHTHALENE DERIVATIVES AS 5HT2A ANTAGONISTS MERCK SHARP & DOHME (GB) 2009-02-04 EP disclosed
US-20070281952-A1 Arylsulfonylnaphthalene Derivatives As 5Ht2a Antagonists MERCK SHARPE & DOHME LIMITED (GB) 2007-12-06 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 (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-20070281952-A1 Arylsulfonylnaphthalene Derivatives As 5Ht2a Antagonists HTR2A, HTR2C, HTR1A KDM4E 4020/4885ALDH1A1 548/4885PIK3CA 4160/4885

“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.