SCHEMBL5322296

SCHEMBL5322296

O=C(O)[C@@](O)(N(O)c1ccccc1)C(O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.41
CYP2C9 P11712 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
GLA P06280 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.34

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
SCHEMBL14691647 0.78 NPSR1 (0.44) NPSR1CYP2C9KMT2ASMN1; SMN2MEN1
SCHEMBL27500132 0.75 KMT2A (0.44) NPSR1CYP2C9KMT2ASMN1; SMN2MEN1
SCHEMBL625122 0.75 KMT2A (0.44) NPSR1CYP2C9KMT2ASMN1; SMN2MEN1
SCHEMBL27224598 0.72 CYP1A2 (0.45) NPSR1CYP2C9KMT2ASMN1; SMN2MEN1
SCHEMBL5347581 0.72 NPSR1 (0.39) NPSR1CYP2C9KMT2ASMN1; SMN2MEN1
SCHEMBL421668 0.72 NPSR1 (0.39) NPSR1CYP2C9KMT2ASMN1; SMN2MEN1
SCHEMBL6180241 0.72 NPSR1 (0.39) NPSR1CYP2C9KMT2ASMN1; SMN2MEN1
SCHEMBL5669770 0.71 ALDH1A1 (0.44) NPSR1CYP2C9KMT2ASMN1; SMN2MEN1
SCHEMBL5669762 0.71 ALDH1A1 (0.44) NPSR1CYP2C9KMT2ASMN1; SMN2MEN1
SCHEMBL6834107 0.69 SMN1; SMN2 (0.47) NPSR1CYP2C9KMT2ASMN1; SMN2MEN1

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 NPSR1 3367/4885CYP2C9 4588/4885KMT2A 3586/4885

“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.