SCHEMBL5047142

SCHEMBL5047142

N#Cc1ccc(CNC(=O)[C@@H](Br)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
MCL1 Q07820 1/20 0.47
SCN5A Q14524 2/20 0.45
SCN9A Q15858 2/20 0.45
POLB P06746 1/20 0.45
EPHX2 P34913 1/20 0.45
PKM P14618 1/20 0.45
MAOA P21397 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43

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
SCHEMBL5047140 1.00 SLC1A3 (0.53) SLC1A3SLC1A2MEN1KMT2AMCL1
SCHEMBL13913575 0.85 KMT2A (0.55) MEN1KMT2ASCN5ASCN9APOLB
SCHEMBL5047798 0.83 SLC1A3 (0.53) SLC1A3SLC1A2MEN1KMT2AMCL1
SCHEMBL5047802 0.83 SLC1A3 (0.53) SLC1A3SLC1A2MEN1KMT2AMCL1
SCHEMBL5043331 0.81 SLC1A3 (0.54) SLC1A3SLC1A2MEN1KMT2ASCN5A
SCHEMBL5043330 0.81 SLC1A3 (0.54) SLC1A3SLC1A2MEN1KMT2ASCN5A
SCHEMBL5040586 0.80 SLC1A3 (0.53) SLC1A3SLC1A2MEN1KMT2ASCN5A
SCHEMBL5041218 0.80 PKM (0.72) SLC1A3SLC1A2MEN1KMT2ASCN5A
SCHEMBL5040508 0.80 PKM (0.72) SLC1A3SLC1A2MEN1KMT2ASCN5A
SCHEMBL5040589 0.80 SLC1A3 (0.53) SLC1A3SLC1A2MEN1KMT2ASCN5A

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.