SCHEMBL6715842

SCHEMBL6715842

O=C(Nc1ccccc1)C(NC(=S)Nc1ccccc1F)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 1/20 0.55
ALDH1A1 P00352 4/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 3/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
RAB9A P51151 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 4/20 0.47
POLB P06746 2/20 0.47
HTT P42858 2/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALOX12 P18054 1/20 0.46
PKM P14618 1/20 0.45
NFKB1 P19838 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
SCHEMBL6719400 0.89 ULK1 (0.51) ULK1ALDH1A1GAAKMT2ALMNA
SCHEMBL6716905 0.82 KDM4E (0.58) ALDH1A1GAAKMT2AMEN1MAPT
SCHEMBL6715738 0.81 KMT2A (0.53) ALDH1A1GAAKMT2ALMNAMEN1
SCHEMBL6717195 0.80 MAPT (0.54) ALDH1A1GAAKMT2ALMNAMEN1
SCHEMBL6715541 0.79 ULK1 (0.50) ULK1ALDH1A1GAAKMT2ALMNA
SCHEMBL6718043 0.77 ULK1 (0.56) ULK1ALDH1A1KMT2ALMNAMEN1
SCHEMBL6717579 0.77 ULK1 (0.51) ULK1ALDH1A1GAAKMT2ALMNA
SCHEMBL8347091 0.76 HDAC1 (0.48) ALDH1A1GAAKMT2ALMNAMEN1
SCHEMBL6716956 0.75 KMT2A (0.64) ALDH1A1GAAKMT2ALMNAMEN1
SCHEMBL6715920 0.75 POLB (0.61) ALDH1A1GAAKMT2ALMNAMEN1

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 2 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

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 ULK1 3524/4885ALDH1A1 575/4885GAA 168/4885

“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.