SCHEMBL6714072

SCHEMBL6714072

COC(=O)c1ccc(N(C(N)=S)N(C(=O)C2CCCCC2)c2ccccc2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.41
ITK Q08881 2/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 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
SMN1; SMN2 Q16637 2/20 0.37
OPRM1 P35372 2/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
ALOX12 P18054 1/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 1/20 0.36
NPC1 O15118 1/20 0.36
EPHX2 P34913 1/20 0.36
MAPT P10636 1/20 0.35
P2RX7 Q99572 1/20 0.35

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
SCHEMBL6714288 0.95 HPGD (0.39) NR1H4ITKKMT2AMEN1CYP1A2
SCHEMBL6723392 0.89 SMN1; SMN2 (0.41) NR1H4ITKKMT2AMEN1CYP1A2
SCHEMBL6722821 0.88 NPC1 (0.41) NR1H4ITKKMT2AMEN1OPRM1
SCHEMBL6715806 0.87 NR1H4 (0.41) NR1H4ITKKMT2AMEN1CYP1A2
SCHEMBL6716021 0.86 TDP1 (0.46) NR1H4ITKKMT2AMEN1CYP1A2
SCHEMBL6719625 0.85 OPRM1 (0.39) NR1H4ITKKMT2AMEN1OPRM1
SCHEMBL6722876 0.82 ALDH1A1 (0.39) ITKKMT2AMEN1OPRM1ALDH1A1
SCHEMBL6718318 0.78 OPRM1 (0.41) KMT2AMEN1CYP1A2CYP2C19OPRM1
SCHEMBL6726655 0.78 IDH1 (0.38) NR1H4ITKOPRM1LMNA
SCHEMBL6718458 0.75 ALDH1A1 (0.42) KMT2AMEN1SMN1; SMN2OPRM1ALDH1A1

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-20040152740-A1 Arylglycine derivatives for 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

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 NR1H4 801/4885ITK 4436/4885KMT2A 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.