SCHEMBL6570465

SCHEMBL6570465

O=C(O)CC(O)(c1ccccc1)c1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CHRM3 P20309 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
BLM P54132 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 2/20 0.44
HIF1A Q16665 2/20 0.44
CYP3A4 P08684 2/20 0.42
SLC22A2 O15244 1/20 0.42
SLC22A1 O15245 1/20 0.42
PGR P06401 1/20 0.42
THRB P10828 1/20 0.42
ADRB3 P13945 1/20 0.42
OPRK1 P41145 1/20 0.42
PMP22 Q01453 1/20 0.42
KCNH2 Q12809 1/20 0.42
PDE3A Q14432 1/20 0.42
SLC47A1 Q96FL8 1/20 0.42

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
SCHEMBL6570598 0.90 MIF (0.53) MEN1KMT2ACHRM3L3MBTL1SMN1; SMN2
SCHEMBL4504278 0.81 CETP (0.49) MEN1KMT2ACHRM3L3MBTL1SMN1; SMN2
SCHEMBL4619588 0.80 CYP2C19 (0.59) KMT2ACHRM3SMN1; SMN2CYP2D6CYP2C19
SCHEMBL6570728 0.79 L3MBTL1 (0.52) L3MBTL1SMN1; SMN2BLMCYP2D6CYP2C19
SCHEMBL5929556 0.79 L3MBTL1 (0.52) L3MBTL1SMN1; SMN2BLMCYP2D6CYP2C19
SCHEMBL2066034 0.79 MEN1 (0.55) MEN1KMT2ACHRM3L3MBTL1SMN1; SMN2
SCHEMBL14430429 0.77 CHRM3 (0.50) MEN1KMT2ACHRM3L3MBTL1SMN1; SMN2
SCHEMBL30601200 0.76 MEN1 (0.49) MEN1KMT2ACHRM3L3MBTL1SMN1; SMN2
SCHEMBL4872782 0.76 L3MBTL1 (0.47) KMT2AL3MBTL1SMN1; SMN2BLMCYP2D6
SCHEMBL745452 0.76 CYP2C19 (0.56) L3MBTL1SMN1; SMN2BLMCYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629472-B2 Method for producing optically active compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-08 US disclosed
US-20070276143-A1 Method for producing optically active compound YAMANO TORU 2007-11-29 US disclosed
US-7247732-B2 Method for producing optically active compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-24 US disclosed
EP-1489070-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2004-12-22 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-20070276143-A1 Method for producing optically active compound CYP8B1, HRH3, HRH1 MEN1 235/4885KMT2A 1469/4885CHRM3 336/4885

“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.