SCHEMBL4072070

SCHEMBL4072070

O=[N+]([O-])c1cccnc1S(=O)(=O)c1ccc2cc(-c3ccc(F)cc3)ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
RAB9A P51151 2/20 0.57
PAX8 Q06710 2/20 0.55
MAPT P10636 5/20 0.40
MAPK1 P28482 3/20 0.40
SLC40A1 Q9NP59 1/20 0.40
VCAM1 P19320 1/20 0.39
PDE10A Q9Y233 1/20 0.38
TXNRD1 Q16881 4/20 0.38
PIK3CA P42336 2/20 0.38
ALDH1A1 P00352 2/20 0.37
PTGS2 P35354 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.37
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
GFER P55789 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RAPGEF3 O95398 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
SCHEMBL4014550 0.81 MEN1 (0.67) MEN1KMT2ARAB9APAX8MAPT
SCHEMBL4014551 0.81 MEN1 (0.67) MEN1KMT2ARAB9APAX8MAPT
SCHEMBL4068413 0.80 NFE2L2 (0.45) PIK3CANFE2L2
SCHEMBL4484230 0.77 HTR2A (0.44) MAPTPIK3CASMN1; SMN2NFE2L2
SCHEMBL4071902 0.77 HTR2A (0.44) MAPTPIK3CASMN1; SMN2NFE2L2
SCHEMBL4073466 0.77 HTR2A (0.44) MAPTPIK3CASMN1; SMN2NFE2L2
SCHEMBL4066061 0.75 KDM4E (0.49) MEN1KMT2AMAPTSLC40A1PIK3CA
SCHEMBL4069080 0.75 PIK3CA (0.35) MAPTPIK3CAPTGS2NFE2L2
SCHEMBL4067339 0.74 KDM4E (0.36) MEN1KMT2ARAB9AMAPTPIK3CA
SCHEMBL4067334 0.74 KDM4E (0.36) MEN1KMT2ARAB9AMAPTPIK3CA

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 MEN1 1494/4885KMT2A 1432/4885RAB9A 2812/4885

“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.