SCHEMBL10073003

SCHEMBL10073003

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
GSK3A P49840 2/20 0.46
GSK3B P49841 2/20 0.46
KCNA5 P22460 1/20 0.45
POLB P06746 2/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 2/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.43

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
SCHEMBL10047727 0.94 KMT2A (0.47) CMA1KMT2AMEN1PTGS1PTGS2
SCHEMBL9771367 0.94 MEN1 (0.54) CMA1KMT2AMEN1PTGS1PTGS2
SCHEMBL9771411 0.86 CMA1 (0.52) CMA1KMT2AMEN1PTGS1PTGS2
SCHEMBL17961704 0.81 ADORA2A (0.48) CMA1KMT2AMEN1GSK3BPOLB
SCHEMBL9482020 0.81 ADORA2A (0.48) CMA1KMT2AMEN1GSK3BPOLB
SCHEMBL9771405 0.81 TP53 (0.53) KMT2AMEN1POLBTP53MAPT
SCHEMBL9771410 0.79 POLB (0.51) KMT2AMEN1KCNA5POLBTP53
SCHEMBL9771459 0.76 KMT2A (0.49) KMT2AMEN1PTGS1PTGS2KCNA5
SCHEMBL9771429 0.74 CMA1 (0.52) CMA1KMT2AMEN1GSK3AGSK3B
SCHEMBL10072991 0.74 KMT2A (0.55) CMA1KMT2AMEN1PTGS1PTGS2

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 CMA1 4241/4885KMT2A 2622/4885MEN1 3602/4885

“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.