SCHEMBL5047802

SCHEMBL5047802

N#Cc1ccc(CNC(=O)[C@@H](N)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.53
SLC1A2 P43004 1/20 0.53
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.48
SCN5A Q14524 2/20 0.45
SCN9A Q15858 2/20 0.45
EPHX2 P34913 1/20 0.45
PKM P14618 1/20 0.45
MAOA P21397 1/20 0.44
MCL1 Q07820 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
EEF2K O00418 1/20 0.42
GAA P10253 1/20 0.42
ERCC1 P07992 1/20 0.42
ERCC4 Q92889 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
SCHEMBL5047798 1.00 SLC1A3 (0.53) SLC1A3SLC1A2MEN1KMT2APOLB
Hydrochloric Acid SCHEMBL21995166 0.87 KMT2A (0.58) MEN1KMT2APOLBSCN5ASCN9A
SCHEMBL4220537 0.85 KMT2A (0.55) MEN1KMT2APOLBSCN5ASCN9A
Hydrochloric Acid SCHEMBL4205709 0.84 KMT2A (0.54) MEN1KMT2APOLBSCN5ASCN9A
Hydrochloric Acid SCHEMBL4205714 0.84 KMT2A (0.54) MEN1KMT2APOLBSCN5ASCN9A
SCHEMBL5047140 0.83 SLC1A3 (0.53) SLC1A3SLC1A2MEN1KMT2APOLB
SCHEMBL5047142 0.83 SLC1A3 (0.53) SLC1A3SLC1A2MEN1KMT2APOLB
SCHEMBL28084151 0.82 CTSC (0.56) SLC1A3SLC1A2PKMMAOA
SCHEMBL28084147 0.82 CTSC (0.56) SLC1A3SLC1A2PKMMAOA
SCHEMBL3164799 0.81 ALDH1A1 (0.55) MEN1KMT2APOLB

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
EP-1567498-B1 MANDELIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-23 EP disclosed
US-7129238-B2 Mandelic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2006-10-31 US disclosed
EP-1567498-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-08-31 EP disclosed
US-20040122057-A1 Novel mandelic acid derivatives HOFFMANN-LA ROCHE INC. 2004-06-24 US disclosed
WO-2004048335-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-06-10 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-20040122057-A1 Novel mandelic acid derivatives F7, F11, F9 SLC1A3 2652/4885SLC1A2 2127/4885MEN1 766/4885

“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.