SCHEMBL10047727

SCHEMBL10047727

COc1ccc(CN2C(=O)[C@@H]3CSC(c4ccc(CO)cc4)N3C2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
CMA1 P23946 1/20 0.46
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
ALDH1A1 P00352 2/20 0.42
KCNA5 P22460 1/20 0.41
GSK3A P49840 2/20 0.41
GSK3B P49841 2/20 0.41
POLB P06746 2/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 3/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL10073003 0.94 CMA1 (0.51) KMT2AMEN1CMA1PTGS1PTGS2
SCHEMBL9771367 0.89 MEN1 (0.54) KMT2AMEN1CMA1PTGS1PTGS2
SCHEMBL9771411 0.82 CMA1 (0.52) KMT2AMEN1CMA1PTGS1PTGS2
SCHEMBL10047735 0.77 KMT2A (0.51) KMT2AMEN1CMA1PTGS1PTGS2
SCHEMBL17961704 0.76 ADORA2A (0.48) KMT2AMEN1CMA1ALDH1A1GSK3B
SCHEMBL9482020 0.76 ADORA2A (0.48) KMT2AMEN1CMA1ALDH1A1GSK3B
SCHEMBL9771405 0.76 TP53 (0.53) KMT2AMEN1ALDH1A1POLBTP53
SCHEMBL9771410 0.75 POLB (0.51) KMT2AMEN1ALDH1A1KCNA5POLB
SCHEMBL10072991 0.72 KMT2A (0.55) KMT2AMEN1CMA1PTGS1PTGS2
SCHEMBL9771459 0.71 KMT2A (0.49) 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 3602/4885CMA1 4241/4885

“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.