SCHEMBL10047737

SCHEMBL10047737

COc1ccc(CN2C(=O)N3C(c4ccc(CO)cc4)SC[C@H]3[C@@H]2C2(O[Si](C)(C)C)CCCCC2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
ALDH1A1 P00352 5/20 0.34
NPSR1 Q6W5P4 2/20 0.33
HTT P42858 1/20 0.33
POLB P06746 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KCNA5 P22460 3/20 0.33
GAA P10253 5/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL10072987 0.96 KMT2A (0.43) MEN1KMT2APTGS1PTGS2ALDH1A1
SCHEMBL10047750 0.86 KMT2A (0.43) MEN1KMT2APTGS1PTGS2ALDH1A1
SCHEMBL5738466 0.86 KMT2A (0.38) MEN1KMT2ANPSR1POLBCYP2C9
SCHEMBL10072989 0.82 KMT2A (0.45) MEN1KMT2APTGS1PTGS2ALDH1A1
SCHEMBL10047735 0.77 KMT2A (0.51) MEN1KMT2APTGS1PTGS2ALDH1A1
SCHEMBL10072991 0.73 KMT2A (0.55) MEN1KMT2APTGS1PTGS2ALDH1A1
SCHEMBL5739253 0.69 KMT2A (0.39) MEN1KMT2AALDH1A1NPSR1HTT
SCHEMBL19938125 0.69 KMT2A (0.39) MEN1KMT2AALDH1A1NPSR1HTT
SCHEMBL38658428 0.69 KMT2A (0.39) MEN1KMT2AALDH1A1NPSR1HTT
SCHEMBL19924259 0.69 KMT2A (0.39) MEN1KMT2AALDH1A1NPSR1HTT

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 MEN1 3602/4885KMT2A 2622/4885PTGS1 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.