SCHEMBL6727017

SCHEMBL6727017

CCc1cccc(C)c1NC(=O)C(N)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
HTT P42858 3/20 0.50
POLB P06746 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALOX12 P18054 1/20 0.50
PTGS2 P35354 1/20 0.49
RAB9A P51151 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
NLRP3 Q96P20 1/20 0.48
HSD17B10 Q99714 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
OGT O15294 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
HSP90AA1 P07900 1/20 0.45
ATM Q13315 1/20 0.45

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) ALDH1A1HTTPOLBSMN1; SMN2MEN1
SCHEMBL6715480 0.86 ALDH1A1 (0.48) ALDH1A1HTTPOLBSMN1; SMN2ALOX12
SCHEMBL11423763 0.82 NLRP3 (0.52) ALDH1A1HTTPOLBSMN1; SMN2ALOX12
SCHEMBL6715855 0.82 ALDH1A1 (0.58) ALDH1A1HTTPOLBSMN1; SMN2ALOX12
SCHEMBL6715688 0.82 CXCL8 (0.51) PTGS2HSP90AA1ATM
SCHEMBL6717218 0.81 MAPK1 (0.50) NLRP3MEN1KMT2AHSP90AA1ATM
SCHEMBL12812272 0.80 POLB (0.65) ALDH1A1HTTPOLBSMN1; SMN2ALOX12
SCHEMBL10950278 0.78 NLRP3 (0.54) ALDH1A1HTTPOLBSMN1; SMN2ALOX12
SCHEMBL27402352 0.77 ATM (0.52) ALDH1A1HTTPOLBSMN1; SMN2ALOX12
SCHEMBL11414696 0.77 NLRP3 (0.52) ALDH1A1HTTPOLBSMN1; SMN2ALOX12

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-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 (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 ALDH1A1 575/4885HTT 284/4885POLB 4412/4885

“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.