SCHEMBL560262

SCHEMBL560262

NC[C@H](CC(=O)O)c1ccc(Cl)c(NCc2ccc(C(=O)O)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
GABBR2 O75899 4/20 0.48
GABBR1 Q9UBS5 4/20 0.48
LMNA P02545 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP3A4 P08684 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
NFKB1 P19838 1/20 0.48
DRD3 P35462 1/20 0.48
BLM P54132 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
THRB P10828 1/20 0.48
TSHR P16473 1/20 0.48
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 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
Hydrochloric Acid SCHEMBL559734 0.99 MEN1 (0.51) MEN1KMT2AL3MBTL1GABBR2GABBR1
Hydrochloric Acid SCHEMBL559692 0.88 GABBR2 (0.47) MEN1KMT2AL3MBTL1GABBR2GABBR1
Hydrochloric Acid SCHEMBL560284 0.88 GABBR2 (0.47) MEN1KMT2AL3MBTL1GABBR2GABBR1
Hydrochloric Acid SCHEMBL560579 0.87 MRGPRX4 (0.53) MEN1KMT2AL3MBTL1GABBR2GABBR1
SCHEMBL560568 0.86 KMT2A (0.58) MEN1KMT2AL3MBTL1GABBR2GABBR1
Hydrochloric Acid SCHEMBL559617 0.85 KMT2A (0.57) MEN1KMT2AL3MBTL1GABBR2GABBR1
Hydrochloric Acid SCHEMBL559848 0.85 KMT2A (0.57) MEN1KMT2AL3MBTL1GABBR2GABBR1
Hydrochloric Acid SCHEMBL559851 0.84 MEN1 (0.43) MEN1KMT2AGABBR2GABBR1LMNA
SCHEMBL560076 0.84 GABBR2 (0.50) MEN1KMT2AL3MBTL1GABBR2GABBR1
Hydrochloric Acid SCHEMBL560541 0.82 GAA (0.43) MEN1KMT2AL3MBTL1GABBR2GABBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8344028-B2 Gamma-amino-butyric acid derivatives as GABAB receptor ligands XENOPORT, INC. (US) 2013-01-01 US claimed
EP-2419401-A2 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAb RECEPTOR LIGANDS XenoPort, Inc. (US) 2012-02-22 EP claimed
US-20120035139-A9 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS XENOPORT, INC. 2012-02-09 US claimed
US-20100267676-A1 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS XENOPORT, INC. 2010-10-21 US claimed
WO-2010120370-A2 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS XENOPORT, INC. (US) 2010-10-21 WO claimed

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-20100267676-A1 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS GABRB2, GABRB1, GABRB3 MEN1 3738/4885KMT2A 3550/4885L3MBTL1 3363/4885
US-20120035139-A9 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS GABRB2, GABRB1, GABRB3 MEN1 3738/4885KMT2A 3550/4885L3MBTL1 3363/4885

“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.