SCHEMBL5322828

SCHEMBL5322828

NC(CCc1ncc2nc[nH]c2n1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
SLC7A5 Q01650 1/20 0.38
GRM2 Q14416 2/20 0.36
GRIK1 P39086 1/20 0.34
GRIA1 P42261 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA3 P42263 1/20 0.34
GRIA4 P48058 1/20 0.34
GRIK2 Q13002 1/20 0.34
GRIK3 Q13003 1/20 0.34
GRM6 O15303 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
ARG1 P05089 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GRM8 O00222 2/20 0.32

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
SCHEMBL5325198 0.86 SLC7A5 (0.47) CYP3A4SLC7A5GRIK1GRIA1GRIA2
SCHEMBL5322835 0.78 ALDH1A1 (0.43) CYP3A4SLC7A5GRM2GRIK1GRIA1
SCHEMBL8628631 0.77 GRM2 (0.35) CYP3A4SLC7A5GRM2GRIK1GRIA1
SCHEMBL6948806 0.75 JAK2 (0.32) ALDH1A1
SCHEMBL23409493 0.74 HTT (0.39) CYP2C19
SCHEMBL11066168 0.71 PDK2 (0.35) ALDH1A1
SCHEMBL5285402 0.71 ARG1 (0.44) SLC7A5GRM2GRIK1GRIA1GRIA2
SCHEMBL11200729 0.71 KDM4E (0.32) ALDH1A1
SCHEMBL7390765 0.70 ARG1 (0.38) SLC7A5GRM2GRIK1GRIA1GRIA2
SCHEMBL4624268 0.70 ARG1 (0.41) GRM2GRIK1GRIA1GRIA2GRIA3

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-20070258899-A1 Diagnostic and therapeutic agents KARYON-CTT LTD (FI) 2007-11-08 US disclosed
WO-2007113385-A1 DIAGNOSTIC AND THERAPEUTIC AGENTS KARYON-CTT LTD (FI) 2007-10-11 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-20070258899-A1 Diagnostic and therapeutic agents YBX1, MLX, TPX2 CYP3A4 4803/4885SLC7A5 3712/4885GRM2 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.