SCHEMBL6723392

SCHEMBL6723392

COC(=O)c1ccc(N(C(N)=S)N(C(=O)C2CCCCC2)c2ccccc2OC)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
KMT2A Q03164 4/20 0.40
ITK Q08881 1/20 0.40
MEN1 O00255 3/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALPL P05186 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 1/20 0.36

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
SCHEMBL6714072 0.89 NR1H4 (0.41) SMN1; SMN2NR1H4KMT2AITKMEN1
SCHEMBL6715806 0.86 NR1H4 (0.41) SMN1; SMN2NR1H4KMT2AITKMEN1
SCHEMBL6714288 0.83 HPGD (0.39) SMN1; SMN2NR1H4KMT2AITKMEN1
SCHEMBL6716021 0.83 TDP1 (0.46) SMN1; SMN2NR1H4KMT2AITKMEN1
SCHEMBL6722821 0.78 NPC1 (0.41) NR1H4KMT2AITKMEN1ALDH1A1
SCHEMBL6719625 0.76 OPRM1 (0.39) NR1H4KMT2AITKMEN1NPC1
SCHEMBL6722876 0.71 ALDH1A1 (0.39) KMT2AITKMEN1ALDH1A1HPGD
SCHEMBL7608888 0.68 SMN1; SMN2 (0.47) SMN1; SMN2NR1H4KMT2AMEN1ALDH1A1
SCHEMBL6726655 0.67 IDH1 (0.38) NR1H4ITK
SCHEMBL6718318 0.67 OPRM1 (0.41) KMT2AMEN1ALDH1A1CYP1A2CYP2C19

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 SMN1; SMN2 1805/4885NR1H4 801/4885KMT2A 2020/4885

“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.