SCHEMBL4455637

SCHEMBL4455637

CCN(CCN(c1ccc(OC)nc1)S(=O)(=O)c1cccs1)C(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OXTR P30559 6/20 0.54
ALDH1A1 P00352 6/20 0.50
KMT2A Q03164 5/20 0.50
HCRTR1 O43613 3/20 0.44
HCRTR2 O43614 3/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 3/20 0.44
POLB P06746 1/20 0.41
MEN1 O00255 2/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL4459163 0.84 HCRTR1 (0.47) OXTRHCRTR1HCRTR2LMNAPOLB
SCHEMBL4457691 0.83 OXTR (0.56) OXTRALDH1A1KMT2AHCRTR1HCRTR2
SCHEMBL4470460 0.83 HCRTR2 (0.62) OXTRHCRTR1HCRTR2
SCHEMBL4600173 0.83 HCRTR1 (0.51) OXTRKMT2AHCRTR1HCRTR2LMNA
SCHEMBL4457194 0.83 HCRTR2 (0.47) OXTRHCRTR1HCRTR2LMNA
SCHEMBL4457211 0.82 HCRTR1 (0.50) OXTRHCRTR1HCRTR2LMNA
SCHEMBL4460241 0.81 HCRTR1 (0.49) OXTRALDH1A1KMT2AHCRTR1HCRTR2
SCHEMBL4459186 0.81 HCRTR1 (0.49) OXTRKMT2AHCRTR1HCRTR2LMNA
SCHEMBL4452202 0.81 OXTR (0.48) OXTRKMT2AHCRTR1HCRTR2LMNA
SCHEMBL4453885 0.81 HCRTR2 (0.46) OXTRHCRTR1HCRTR2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090258903-A1 Aminoethane Sulfonamide Orexin Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-10-15 US claimed
EP-1912655-A2 AMINOETHANE SULFONAMIDE OREXIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2008-04-23 EP claimed
WO-2007019234-A2 AMINOETHANE SULFONAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-02-15 WO claimed
US-20090258903-A1 Aminoethane Sulfonamide Orexin Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20090258903-A1 Aminoethane Sulfonamide Orexin Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20090258903-A1 Aminoethane Sulfonamide Orexin Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
WO-2007019234-A2 AMINOETHANE SULFONAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-02-15 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-20090258903-A1 Aminoethane Sulfonamide Orexin Receptor Antagonists HCRTR2, HCRTR1, NPSR1 OXTR 5/4885ALDH1A1 3088/4885KMT2A 690/4885

“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.