SCHEMBL6717218

SCHEMBL6717218

Cc1cccc(C(C)C)c1NC(=O)C(N)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.50
TP53 P04637 1/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.49
MEN1 O00255 1/20 0.48
NLRP3 Q96P20 1/20 0.48
HSP90AA1 P07900 1/20 0.45
ATM Q13315 1/20 0.45
CXCL8 P10145 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL6714089 0.88 ATM (0.55) MAPK1KMT2ALMNAMEN1HSP90AA1
SCHEMBL6719402 0.82 TP53 (0.56) MAPK1TP53KMT2ALMNAMEN1
SCHEMBL6715688 0.82 CXCL8 (0.51) HSP90AA1ATMCXCL8CYP3A4CYP2C19
SCHEMBL6727017 0.81 ALDH1A1 (0.59) KMT2AMEN1NLRP3HSP90AA1ATM
SCHEMBL27285058 0.81 MAPK1 (0.58) MAPK1TP53KMT2ALMNAMEN1
SCHEMBL6714513 0.80 CA12 (0.50) KMT2AMEN1NLRP3
SCHEMBL5520212 0.77 MAPK1 (0.58) MAPK1KMT2ALMNAMEN1NLRP3
SCHEMBL29383617 0.77 MAPK1 (0.58) MAPK1KMT2ALMNAMEN1NLRP3
SCHEMBL6717585 0.76 TP53 (0.46) MAPK1TP53KMT2ALMNAMEN1
SCHEMBL6718687 0.76 RAB9A (0.55) LMNACYP3A4CYP2C19

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
US-20040152740-A1 Arylglycine derivatives for use as glycine transport inhibitors NPS ALLELIX CORPORATION (CA) 2004-08-05 US disclosed
US-20040152741-A1 Arylglycine derivatives and their use as glycine transport inhibitors NPS ALLELIX CORPORATION (CA) 2004-08-05 US disclosed
WO-2004022534-A1 ARYLGLYCINE DERIVATIVES FOR USE AS GLYCINE TRANSPORT INHIBITORS NPS ALLELIX CORP. (CA) 2004-03-18 WO disclosed
WO-2004022534-A1 ARYLGLYCINE DERIVATIVES FOR 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 (2 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 MAPK1 1336/4885TP53 4017/4885KMT2A 2020/4885
US-20040152741-A1 Arylglycine derivatives and their use as glycine transport inhibitors SLC1A2, SLC1A1, SLC7A11 MAPK1 1057/4885TP53 4541/4885KMT2A 1656/4885

“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.