SCHEMBL17831028

SCHEMBL17831028

CCO/C(C)=N\OCC(=O)NCCN1C(=O)CC(SC)C1=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.34
▸ ALDH1A1 P00352 7/20 0.33
▸ LMNA P02545 3/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ RECQL P46063 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ HCRTR1 O43613 1/20 0.30
▸ HPGD P15428 1/20 0.30

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
SCHEMBL12799291 0.79 HTT (0.35) HTTALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL16533055 0.77 GSK3A (0.41) HTTALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL15362286 0.77 GSK3A (0.41) HTTALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL24708055 0.76 MTNR1A (0.38) HTTALDH1A1SMN1; SMN2TSHRHPGD
SCHEMBL13609856 0.74 LMNA (0.46) HTTALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL12799292 0.74 LMNA (0.46) HTTALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL17831027 0.74 LMNA (0.46) HTTALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL18796144 0.72 GSK3A (0.37) HTTALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL277686 0.72 SMN1; SMN2 (0.39) HTTALDH1A1LMNASMN1; SMN2POLB
SCHEMBL2607944 0.72 ALDH1A1 (0.40) HTTALDH1A1LMNASMN1; SMN2POLB

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-20160166717-A1 RADIOLABELLING METHOD GE HEALTHCARE LIMITED (GB) 2016-06-16 — — 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-20160166717-A1 RADIOLABELLING METHOD QPCT, ARF5, PAICS HTT 2583/4885ALDH1A1 2454/4885LMNA 4174/4885

“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.

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