SCHEMBL5456461

SCHEMBL5456461

CCOC(=O)N(OC(=O)Cc1ccccc1)C(=N)N(C)C(C(=O)O)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.45
TSHR P16473 3/20 0.39
TP53 P04637 3/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 3/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX15 P16050 1/20 0.36
EPHX2 P34913 1/20 0.36
CYP3A4 P08684 3/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A3 Q01959 3/20 0.35
CYP2D6 P10635 2/20 0.35
CHRM2 P08172 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
CHRM1 P11229 1/20 0.35

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
SCHEMBL5469999 0.93 L3MBTL1 (0.40) L3MBTL1TSHRTP53LMNAMAPT
SCHEMBL5458827 0.91 L3MBTL1 (0.39) L3MBTL1TSHRTP53LMNAALDH1A1
SCHEMBL5458039 0.91 L3MBTL1 (0.44) L3MBTL1TSHRTP53LMNAALDH1A1
SCHEMBL5406520 0.91 L3MBTL1 (0.38) L3MBTL1TSHRTP53LMNAMAPT
SCHEMBL5456436 0.89 L3MBTL1 (0.43) L3MBTL1TSHRTP53LMNAALDH1A1
SCHEMBL5324822 0.83 L3MBTL1 (0.41) L3MBTL1TSHRTP53LMNAALDH1A1
SCHEMBL5455660 0.82 L3MBTL1 (0.39) L3MBTL1TSHRLMNAALDH1A1MAPT
SCHEMBL5467951 0.82 EPHX2 (0.38) L3MBTL1TSHRLMNAMEN1KMT2A
SCHEMBL5452080 0.81 L3MBTL1 (0.39) L3MBTL1EPHX2SIGMAR1
SCHEMBL5454752 0.81 L3MBTL1 (0.43) L3MBTL1TSHRLMNAALDH1A1POLB

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-20070281996-A1 Creatine prodrugs, compositions and uses thereof XENOPORT, INC. 2007-12-06 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-20070281996-A1 Creatine prodrugs, compositions and uses thereof CKMT1A; CKMT1B, PYGM, TNNI3 L3MBTL1 2963/4885TSHR 3387/4885TP53 3104/4885

“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.