SCHEMBL10045689

SCHEMBL10045689

CN(C)c1ccc(CN(CC(=O)O)C(=O)C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
MEN1 O00255 1/20 0.54
GFER P55789 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
CNR2 P34972 1/20 0.42
MAPT P10636 4/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 1/20 0.41
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40

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
SCHEMBL10045700 0.84 ALDH1A1 (0.45) KMT2AMEN1L3MBTL1CNR2MAPT
SCHEMBL10045691 0.84 ALDH1A1 (0.42) KMT2AMEN1L3MBTL1MAPTALDH1A1
SCHEMBL10045687 0.82 KMT2A (0.55) KMT2AMEN1L3MBTL1MAPTALDH1A1
SCHEMBL8423246 0.81 KMT2A (0.53) KMT2AMEN1GFERL3MBTL1CNR2
SCHEMBL2218290 0.75 KMT2A (0.59) KMT2AMEN1GFERL3MBTL1CNR2
SCHEMBL595605 0.73 KMT2A (0.57) KMT2AMEN1GFERL3MBTL1CNR2
SCHEMBL10045693 0.73 MEN1 (0.46) KMT2AMEN1GFERCNR2MAPT
SCHEMBL14944830 0.72 KMT2A (0.53) KMT2AMEN1L3MBTL1MAPTALDH1A1
SCHEMBL12311123 0.71 ALDH1A1 (0.61) KMT2AMEN1L3MBTL1MAPTALDH1A1
SCHEMBL30945859 0.71 KMT2A (0.54) KMT2AMEN1GFERL3MBTL1CNR2

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
EP-2595613-B1 COMPOUNDS FOR USE IN A METHOD OF PREVENTING OR TREATING VIRAL INFECTION US HEALTH (US) 2019-01-09 EP disclosed
US-8871789-B2 Method of preventing or treating viral infection THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2014-10-28 US disclosed
US-20130123344-A1 METHOD OF PREVENTING OR TREATING VIRAL INFECTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2013-05-16 US disclosed
WO-2012012627-A1 METHOD OF PREVENTING OR TREATING VIRAL INFECTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-01-26 WO 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-20130123344-A1 METHOD OF PREVENTING OR TREATING VIRAL INFECTION KDM1B, KDM1A, KDM2A KMT2A 37/4885MEN1 3013/4885GFER 2920/4885

“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.