SCHEMBL5025565

SCHEMBL5025565

O=C(O)CN1C(=O)CCN=C2CC=CC=C21

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HTT P42858 2/20 0.33
RAB9A P51151 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
L3MBTL1 Q9Y468 3/20 0.31
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30
PDE4B Q07343 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
SCHEMBL236431 0.64 TSHR (0.56) GAAMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL27394301 0.63 TSHR (0.37) GAAMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL10729580 0.62 L3MBTL1 (0.33) GAAMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL27308445 0.61 TSHR (0.35) MEN1KMT2ATSHRSMN1; SMN2HTT
SCHEMBL4600179 0.61 TSHR (0.52) GAAMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL5030065 0.60
Ethylene Glycol SCHEMBL27986613 0.60 TSHR (0.50) GAAMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL7094711 0.58 TSHR (0.35) GAAMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL27287079 0.58 TSHR (0.36) MEN1KMT2ATSHRSMN1; SMN2HTT
SCHEMBL13299992 0.56 ALDH1A1 (0.39) MEN1KMT2ASMN1; SMN2

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-20080221082-A1 Ligands of Integrin Receptors ABBOTT GMBH & CO. KG (DE) 2008-09-11 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-20080221082-A1 Ligands of Integrin Receptors ITGB3, ITGAV, ITGA2B GAA 3246/4885MEN1 4463/4885KMT2A 4698/4885

“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.