SCHEMBL5040586

SCHEMBL5040586

CN(C)C(C(=O)NCc1ccc(C#N)cc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.53
SLC1A2 P43004 1/20 0.53
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
EPHX2 P34913 1/20 0.45
PKM P14618 1/20 0.45
CCR2 P41597 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
MALT1 Q9UDY8 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
SCN5A Q14524 1/20 0.43
SCN9A Q15858 1/20 0.43
LOXL2 Q9Y4K0 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
SCHEMBL5040589 1.00 SLC1A3 (0.53) SLC1A3SLC1A2MEN1KMT2AEPHX2
SCHEMBL5043330 0.81 SLC1A3 (0.54) SLC1A3SLC1A2MEN1KMT2AEPHX2
SCHEMBL5043331 0.81 SLC1A3 (0.54) SLC1A3SLC1A2MEN1KMT2AEPHX2
SCHEMBL5047802 0.80 SLC1A3 (0.53) SLC1A3SLC1A2MEN1KMT2AEPHX2
SCHEMBL5047140 0.80 SLC1A3 (0.53) SLC1A3SLC1A2MEN1KMT2AEPHX2
SCHEMBL5047798 0.80 SLC1A3 (0.53) SLC1A3SLC1A2MEN1KMT2AEPHX2
SCHEMBL5047142 0.80 SLC1A3 (0.53) SLC1A3SLC1A2MEN1KMT2AEPHX2
SCHEMBL5040508 0.80 PKM (0.72) SLC1A3SLC1A2MEN1KMT2AEPHX2
SCHEMBL5041218 0.80 PKM (0.72) SLC1A3SLC1A2MEN1KMT2AEPHX2
SCHEMBL5038007 0.80 SLC1A3 (0.53) SLC1A3SLC1A2MEN1KMT2AEPHX2

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.