SCHEMBL4459452

SCHEMBL4459452

COc1ccc(NCCNC(=O)O)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.57
MEN1 O00255 7/20 0.57
KDM4E B2RXH2 2/20 0.57
MAPT P10636 2/20 0.57
PABPC1 P11940 5/20 0.51
LMNA P02545 5/20 0.49
NPSR1 Q6W5P4 2/20 0.49
RAB9A P51151 7/20 0.49
NPC1 O15118 5/20 0.49
ALDH1A1 P00352 4/20 0.49
HTT P42858 2/20 0.49
POLB P06746 1/20 0.49
PKM P14618 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
S1PR2 O95136 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HPGD P15428 1/20 0.46
AGTR1 P30556 1/20 0.46
OPRK1 P41145 1/20 0.46
TLR9 Q9NR96 1/20 0.46

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
SCHEMBL8250962 0.82 KMT2A (0.51) KMT2AMEN1KDM4EMAPTPABPC1
SCHEMBL6644838 0.80 KMT2A (0.57) KMT2AMEN1KDM4EMAPTPABPC1
SCHEMBL7410653 0.79 KMT2A (0.53) KMT2AMEN1KDM4EMAPTPABPC1
SCHEMBL3761569 0.78 KMT2A (0.68) KMT2AMEN1KDM4EMAPTPABPC1
SCHEMBL6269870 0.78 KMT2A (0.55) KMT2AMEN1KDM4EMAPTPABPC1
SCHEMBL6640610 0.77 KMT2A (0.57) KMT2AMEN1KDM4EMAPTPABPC1
SCHEMBL4574251 0.76 KMT2A (0.53) KMT2AMEN1KDM4EMAPTPABPC1
Hydrochloric Acid SCHEMBL38658753 0.76 KMT2A (0.66) KMT2AMEN1KDM4EMAPTPABPC1
SCHEMBL4574249 0.76 KMT2A (0.56) KMT2AMEN1KDM4EMAPTPABPC1
SCHEMBL50309 0.74 KMT2A (0.67) KMT2AMEN1KDM4EMAPTPABPC1

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 1 patent. 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

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 2128/4885KDM4E 1285/4885

“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.