SCHEMBL4069121

SCHEMBL4069121

N#Cc1ccccc1S(=O)(=O)c1ccc2cc(Br)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.47
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
ABCC9 O60706 1/20 0.42
ABCC8 Q09428 1/20 0.42
KCNJ11 Q14654 1/20 0.42
KCNJ8 Q15842 1/20 0.42
POLB P06746 1/20 0.41
CYP2A6 P11509 1/20 0.41
SLC22A12 Q96S37 2/20 0.40
BRD1 O95696 1/20 0.39
BRPF1 P55201 1/20 0.39
LMNA P02545 3/20 0.39
HPGD P15428 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL3157029 0.85 HSD11B1 (0.57) HSD11B1ALDH1A1HTTABCC9ABCC8
SCHEMBL4069576 0.79 HSD11B1 (0.46) HSD11B1ALDH1A1HTTABCC9ABCC8
SCHEMBL5526773 0.76 CYP2A6 (0.50) ALDH1A1CYP2A6LMNACA1CA2
SCHEMBL1146161 0.74 HSD11B1 (0.59) HSD11B1ALDH1A1HTTABCC9ABCC8
SCHEMBL4073507 0.74 HTR2A (0.44) HSD11B1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL30468568 0.74 ALDH1A1 (0.62) HSD11B1ALDH1A1HTTABCC9ABCC8
SCHEMBL8514629 0.74 ALDH1A1 (0.62) HSD11B1ALDH1A1HTTABCC9ABCC8
SCHEMBL9769120 0.73 CA1 (0.50) LMNACA1CA2
SCHEMBL4067382 0.72 HTR2A (0.54) HSD11B1CYP2A6LMNACA1CA2
SCHEMBL4159366 0.72 HSD11B1 (0.57) HSD11B1ALDH1A1HTTABCC9ABCC8

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 HSD11B1 1111/4885ALDH1A1 548/4885HTT 316/4885

“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.