SCHEMBL6820592

SCHEMBL6820592

Cc1ccc(NC(=O)C(N)c2ccccc2)cc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.52
ROCK2 O75116 1/20 0.50
ROCK1 Q13464 1/20 0.50
BAZ1A Q9NRL2 1/20 0.49
ALDH1A1 P00352 5/20 0.46
EIF2AK3 Q9NZJ5 1/20 0.46
TTK P33981 1/20 0.46
PDK1 Q15118 1/20 0.45
TACR1 P25103 1/20 0.45
P2RY1 P47900 1/20 0.45
MEN1 O00255 3/20 0.44
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2C9 P11712 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
POLB P06746 1/20 0.44
AAK1 Q2M2I8 1/20 0.44
CASR P41180 1/20 0.44
LMNA P02545 4/20 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
SCHEMBL6722715 0.84 ALDH1A1 (0.60) ROCK2ROCK1BAZ1AALDH1A1EIF2AK3
SCHEMBL6722720 0.84 ALDH1A1 (0.60) ROCK2ROCK1BAZ1AALDH1A1EIF2AK3
SCHEMBL6726454 0.84 TAS2R14 (0.51) TAS2R14ALDH1A1PDK1TACR1P2RY1
SCHEMBL17364128 0.81 ALDH1A1 (0.67) ROCK2ROCK1BAZ1AALDH1A1MEN1
SCHEMBL15061100 0.79 ALDH1A1 (0.64) TAS2R14ALDH1A1PDK1P2RY1MEN1
SCHEMBL11055177 0.79 TAS2R14 (0.58) TAS2R14ALDH1A1PDK1MEN1CYP1A2
SCHEMBL6726787 0.78 RAB9A (0.58) ROCK2ROCK1BAZ1ATACR1MEN1
SCHEMBL6715643 0.77 ALDH1A1 (0.67) ALDH1A1TACR1MEN1CYP1A2CYP3A4
SCHEMBL6715648 0.77 ALDH1A1 (0.67) ALDH1A1TACR1MEN1CYP1A2CYP3A4
SCHEMBL16425586 0.77 HTT (0.49) TAS2R14ALDH1A1PDK1P2RY1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040152741-A1 Arylglycine derivatives and their use as glycine transport inhibitors NPS ALLELIX CORPORATION (CA) 2004-08-05 US disclosed
WO-2004022528-A2 ARYLGLYCINE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORT INHIBITORS NPS ALLELIX CORP. (CA) 2004-03-18 WO disclosed
WO-2004022528-A2 ARYLGLYCINE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORT INHIBITORS NPS ALLELIX CORP. (CA) 2004-03-18 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-20040152741-A1 Arylglycine derivatives and their use as glycine transport inhibitors SLC1A2, SLC1A1, SLC7A11 TAS2R14 1860/4885ROCK2 4242/4885ROCK1 3247/4885

“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.