SCHEMBL6716822

SCHEMBL6716822

CC(C)(C)N(C(=O)O)C(C(=O)Nc1ccccc1Cl)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 1/20 0.56
ALDH1A1 P00352 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
GAA P10253 2/20 0.48
CASR P41180 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
PDK1 Q15118 3/20 0.45
PDK2 Q15119 3/20 0.45
PDK3 Q15120 3/20 0.45
PDK4 Q16654 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
GLA P06280 1/20 0.45
ATM Q13315 1/20 0.45
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
PCTP Q9UKL6 1/20 0.44
STARD10 Q9Y365 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 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
SCHEMBL6716835 0.85 CYP1A2 (0.48) ALDH1A1GAAPDK1PDK2PDK3
SCHEMBL6716842 0.85 CYP1A2 (0.48) ALDH1A1GAAPDK1PDK2PDK3
SCHEMBL6714547 0.84 ALDH1A1 (0.46) KCNQ2ALDH1A1GAAPDK1PDK2
SCHEMBL6723623 0.83 POLB (0.51) ALDH1A1GAAGPR55ATMKMT2A
SCHEMBL6713979 0.83 ALDH1A1 (0.53) ALDH1A1GAACASRGPR55ATM
SCHEMBL6715907 0.83 KMT2A (0.50) ALDH1A1L3MBTL1GAANPC1RAB9A
SCHEMBL6719501 0.82 MAPT (0.46) ALDH1A1NPC1RAB9AGLAKMT2A
SCHEMBL6719510 0.82 MAPT (0.55) ALDH1A1L3MBTL1PDK1PDK2PDK3
SCHEMBL6715819 0.82 POLB (0.49) ALDH1A1L3MBTL1GAANPC1RAB9A
SCHEMBL6716791 0.81 ALDH1A1 (0.49) ALDH1A1L3MBTL1GAANPC1RAB9A

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-20040152740-A1 Arylglycine derivatives for use as glycine transport inhibitors NPS ALLELIX CORPORATION (CA) 2004-08-05 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-20040152740-A1 Arylglycine derivatives for use as glycine transport inhibitors SLC1A2, SLC6A7, SLC1A1 KCNQ2 815/4885ALDH1A1 572/4885L3MBTL1 3509/4885

“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.