SCHEMBL4066217

SCHEMBL4066217

O=S(=O)(c1ccccc1)c1ccc2nc(-c3ccc(F)cc3F)ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.54
HTR2C P28335 6/20 0.54
KCNH2 Q12809 3/20 0.54
KMO O15229 1/20 0.40
NAMPT P43490 1/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
AR P10275 1/20 0.38
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PTGS2 P35354 1/20 0.37
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
MDM2 Q00987 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL5317454 0.86 HTR2A (0.44) HTR2AHTR2CKCNH2KMONAMPT
SCHEMBL30932125 0.76 AR (0.57) KMOARHPGDSMN1; SMN2NPSR1
SCHEMBL5174159 0.76 AR (0.57) KMOARHPGDSMN1; SMN2NPSR1
SCHEMBL28959133 0.75 AR (0.56) KMOARHPGDSMN1; SMN2NPSR1
SCHEMBL31438887 0.75 AR (0.56) KMOARHPGDSMN1; SMN2NPSR1
SCHEMBL14269733 0.73 CYP1A2 (0.47) KMOARHPGDSMN1; SMN2KDM4E
SCHEMBL4151365 0.72 HTR2A (0.48) HTR2AHTR2CKCNH2HPGDKDM4E
SCHEMBL3390895 0.70 HTR2A (0.51) HTR2AHTR2CKCNH2FEN1SMN1; SMN2
SCHEMBL3171411 0.70 HTR2A (1.00) HTR2AHTR2CKCNH2PTGS2
SCHEMBL3171403 0.70 HTR2A (1.00) HTR2AHTR2CKCNH2PTGS2

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 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
EP-1824817-A1 ARYLSULFONYLNAPHTHALENE DERIVATIVES AS 5HT2A ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2007-08-29 EP disclosed
WO-2006059149-A1 ARYLSULFONYLNAPHTHALENE DERIVATIVES AS 5HT2A ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2006-06-08 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-20070281952-A1 Arylsulfonylnaphthalene Derivatives As 5Ht2a Antagonists HTR2A, HTR2C, HTR1A HTR2A 1/4885HTR2C 2/4885KCNH2 445/4885

“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.