SCHEMBL5754436

SCHEMBL5754436

O=C(OCc1ccccc1)c1ccc(Oc2ccccn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
TDP1 Q9NUW8 3/20 0.58
SLC6A2 P23975 1/20 0.58
SLC6A3 Q01959 1/20 0.58
LMNA P02545 3/20 0.57
PKM P14618 1/20 0.52
MAPT P10636 3/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
POLB P06746 1/20 0.49
TSHR P16473 2/20 0.47
RAB9A P51151 3/20 0.47
GAA P10253 1/20 0.47
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
MEN1 O00255 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46

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
SCHEMBL5752818 0.85 OPRM1 (0.45) SLC6A2SLC6A3PKMALDH1A1NR4A1
SCHEMBL10823522 0.84 KMT2A (0.76) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL5349967 0.83 PTGS2 (0.60) KMT2ATDP1LMNAPKMMAPT
SCHEMBL9518321 0.82 KMT2A (0.73) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL5836718 0.81 SLC6A2 (0.67) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL505405 0.79 IP6K1 (0.60) PKMPOLBNR4A1NR4A2NR4A3
SCHEMBL30362588 0.79 IP6K1 (0.60) PKMPOLBNR4A1NR4A2NR4A3
SCHEMBL50807 0.79 KMT2A (0.73) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL312287 0.79 KMT2A (0.92) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL693025 0.79 MAPT (0.62) KMT2ATDP1LMNAPKMMAPT

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-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US disclosed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 EP 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-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP KMT2A 404/4885TDP1 3439/4885SLC6A2 576/4885

“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.