SCHEMBL5409887

SCHEMBL5409887

N=C(N)NCCC[C@H](N)C(=O)Oc1ccc2c(c1)Oc1cc(O)ccc1C21OC(=O)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 9/20 0.52
MAPT P10636 3/20 0.52
MEN1 O00255 2/20 0.52
HTT P42858 2/20 0.52
KMT2A Q03164 2/20 0.52
HPGD P15428 1/20 0.52
CYP2C19 P33261 1/20 0.52
RECQL P46063 1/20 0.52
BLM P54132 1/20 0.52
SMAD3 P84022 1/20 0.52
PRMT1 Q99873 1/20 0.52
ACE2 Q9BYF1 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
LMNA P02545 2/20 0.52
USP2 O75604 1/20 0.52
ALDH1A1 P00352 1/20 0.52
ITPR3 Q14573 1/20 0.51
CYP3A4 P08684 1/20 0.46
GSTP1 P09211 1/20 0.43
MMP14 P50281 1/20 0.41

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
Fluorescein SCHEMBL5409874 0.88 FTO (0.58) FTOMAPTMEN1HTTKMT2A
SCHEMBL5411973 0.87 FTO (0.58) FTOMAPTMEN1HTTKMT2A
SCHEMBL3426429 0.86 FTO (0.59) FTOMAPTMEN1HTTKMT2A
SCHEMBL6244972 0.80 FTO (0.69) FTOMAPTMEN1HTTKMT2A
Fluorescein SCHEMBL8373796 0.80 FTO (0.47) FTOMAPTMEN1HTTKMT2A
SCHEMBL4736276 0.79 FTO (0.47) FTOMAPTMEN1HTTKMT2A
Phosphoric Acid SCHEMBL3407741 0.79 MAPT (0.57) FTOMAPTMEN1HTTKMT2A
SCHEMBL723679 0.78 FTO (0.58) FTOMAPTMEN1HTTKMT2A
SCHEMBL5409831 0.77 FTO (0.59) FTOMAPTMEN1HTTKMT2A
SCHEMBL726955 0.76 FTO (0.57) FTOMAPTMEN1HTTKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070087377-A1 Methods and compositions for reverse translation MIRARI BIOSCIENCES, INC. (US) 2007-04-19 US disclosed
US-7169894-B2 Methods and compositions for reverse translation MIRARI BIOSCIENCES, INC. (US) 2007-01-30 US disclosed
US-20030100000-A1 Methods and compositions for reverse translation MIRARI BIOSCIENCES, INC. 2003-05-29 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 (2 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-20030100000-A1 Methods and compositions for reverse translation RNGTT, CPSF1, RNMT FTO 3243/4885MAPT 3410/4885MEN1 2782/4885
US-20070087377-A1 Methods and compositions for reverse translation RNGTT, CPSF1, RNMT FTO 3243/4885MAPT 3410/4885MEN1 2782/4885

“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.