SCHEMBL8250962

SCHEMBL8250962

COc1ccc(NCCNC(=O)OC(C)(C)C)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.51
MEN1 O00255 5/20 0.51
MAPT P10636 3/20 0.51
KDM4E B2RXH2 2/20 0.51
BCHE P06276 1/20 0.46
MALT1 Q9UDY8 1/20 0.44
LMNA P02545 5/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HTT P42858 2/20 0.44
PABPC1 P11940 4/20 0.43
STK17B O94768 1/20 0.43
STK17A Q9UEE5 1/20 0.43
LATS1 O95835 1/20 0.43
SCN9A Q15858 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
S1PR2 O95136 1/20 0.42
HSP90AA1 P07900 1/20 0.42

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
SCHEMBL25375255 0.86 BCHE (0.46) BCHEMALT1STK17BSTK17ALATS1
SCHEMBL22174752 0.83 BCHE (0.46) BCHEMALT1STK17BSTK17ALATS1
SCHEMBL4459452 0.82 KMT2A (0.57) KMT2AMEN1MAPTKDM4ELMNA
SCHEMBL27260537 0.82 P4HTM (0.50) KDM4EBCHEMALT1STK17BSTK17A
SCHEMBL24205509 0.82 BCHE (0.46) BCHEMALT1STK17BSTK17ALATS1
SCHEMBL2748441 0.81 KMT2A (0.58) KMT2AMEN1MAPTKDM4ELMNA
SCHEMBL29764668 0.81 KMT2A (0.58) KMT2AMEN1MAPTKDM4ELMNA
SCHEMBL14623867 0.80 MALT1 (0.46) BCHEMALT1STK17BSTK17ALATS1
SCHEMBL18650610 0.79 BCHE (0.43) KMT2AMEN1MAPTKDM4EBCHE
SCHEMBL19255115 0.79 KMT2A (0.49) KMT2AMEN1MAPTKDM4ELMNA

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 3 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 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 KMT2A 690/4885MEN1 2128/4885MAPT 1061/4885

“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.