SCHEMBL10047735

SCHEMBL10047735

COc1ccc(CN2C(=O)N3C(c4ccc(CO)cc4)SC[C@H]3[C@H]2O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
ALDH1A1 P00352 3/20 0.41
KCNA5 P22460 4/20 0.41
GAA P10253 4/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 1/20 0.40
CMA1 P23946 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HKDC1 Q2TB90 1/20 0.38
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL10072991 0.96 KMT2A (0.55) KMT2AMEN1PTGS1PTGS2ALDH1A1
SCHEMBL10047747 0.80 MEN1 (0.43) KMT2AMEN1PTGS1PTGS2ALDH1A1
SCHEMBL10047750 0.80 KMT2A (0.43) KMT2AMEN1PTGS1PTGS2ALDH1A1
SCHEMBL5739211 0.78 KMT2A (0.45) KMT2AMEN1ALDH1A1GAAPOLB
SCHEMBL38657586 0.78 KMT2A (0.45) KMT2AMEN1ALDH1A1GAAPOLB
SCHEMBL24741355 0.78 KMT2A (0.45) KMT2AMEN1ALDH1A1GAAPOLB
SCHEMBL5739207 0.78 KMT2A (0.45) KMT2AMEN1ALDH1A1GAAPOLB
SCHEMBL9679547 0.78 KMT2A (0.45) KMT2AMEN1ALDH1A1GAAPOLB
SCHEMBL9033291 0.78 KMT2A (0.45) KMT2AMEN1ALDH1A1GAAPOLB
SCHEMBL10047727 0.77 KMT2A (0.47) KMT2AMEN1PTGS1PTGS2ALDH1A1

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-20120083599-A1 Biomolecular Labelling Using Multifunctional Biotin Analogues UNIVERSITY OF NOTTINGHAM (GB) 2012-04-05 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-20120083599-A1 Biomolecular Labelling Using Multifunctional Biotin Analogues BTD, URB2, RAET1L KMT2A 2622/4885MEN1 3602/4885PTGS1 4396/4885

“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.