SCHEMBL4014550

SCHEMBL4014550

O=[N+]([O-])c1cccnc1S(=O)(=O)c1ccc(/C=C/c2ccc(F)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
RAB9A P51151 1/20 0.67
PAX8 Q06710 1/20 0.64
HTR2A P28223 8/20 0.49
KCNH2 Q12809 5/20 0.49
MAPT P10636 3/20 0.48
MAPK1 P28482 2/20 0.48
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP2D6 P10635 1/20 0.42
NFE2L2 Q16236 4/20 0.41
FBP1 P09467 1/20 0.41
HTR2C P28335 3/20 0.41
LMNA P02545 1/20 0.40
VCAM1 P19320 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
SCHEMBL4014551 1.00 MEN1 (0.67) MEN1KMT2ARAB9APAX8HTR2A
SCHEMBL4072070 0.81 MEN1 (0.57) MEN1KMT2ARAB9APAX8MAPT
SCHEMBL18497242 0.81 KMT2A (1.00) MEN1KMT2ARAB9APAX8MAPT
SCHEMBL4016838 0.80 KMT2A (0.61) MEN1KMT2ARAB9AHTR2AKCNH2
SCHEMBL4015055 0.80 KMT2A (0.61) MEN1KMT2ARAB9AHTR2AKCNH2
SCHEMBL28325321 0.79 KMT2A (0.80) MEN1KMT2ARAB9APAX8MAPT
SCHEMBL4014078 0.79 HTR2A (0.51) MEN1KMT2ARAB9AHTR2AKCNH2
SCHEMBL4014072 0.79 HTR2A (0.51) MEN1KMT2ARAB9AHTR2AKCNH2
SCHEMBL18497234 0.78 PAX8 (1.00) MEN1KMT2ARAB9APAX8MAPT
SCHEMBL18497237 0.78 KMT2A (0.78) MEN1KMT2ARAB9APAX8MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1858852-B1 HETEROARYLSULFONYL STILBENES AS 5-HT2A ANTAGONISTS MERCK SHARP & DOHME (GB) 2009-07-01 EP disclosed
US-20080280956-A1 Heteroarylsulfonyl Stilbenes as 5-Ht2a Antagonists GILLIGAN MYRA 2008-11-13 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-20080280956-A1 Heteroarylsulfonyl Stilbenes as 5-Ht2a Antagonists HTR2A, HTR2B, HTR2C MEN1 1457/4885KMT2A 687/4885RAB9A 1386/4885

“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.