SCHEMBL13622824

SCHEMBL13622824

C=C1OB(c2ccc(NC(C)=O)cc2)OC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 6/20 0.41
MEN1 O00255 4/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA12 O43570 1/20 0.41
BRD4 O60885 1/20 0.41
NR1I2 O75469 1/20 0.41
MB P02144 1/20 0.41
CYP1A1 P04798 1/20 0.41
CA3 P07451 1/20 0.41
CYP3A4 P08684 1/20 0.41
RARG P13631 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL13578707 0.87 CA1 (0.41) KMT2AMEN1CA1CA2CA9
SCHEMBL10087260 0.84 CA1 (0.36) KMT2AMEN1CA1CA2CA9
SCHEMBL10087259 0.82 CYP1A1 (0.47) SMN1; SMN2L3MBTL1KMT2AMEN1CA1
SCHEMBL13474635 0.81 LPL (0.38) CA1CA2CA9CA12CA3
SCHEMBL10087271 0.81 L3MBTL1 (0.46) HTTL3MBTL1CA1CA2CA9
SCHEMBL13100287 0.80 CA1 (0.36) CA1CA2CA9ALDH1A1CA12
SCHEMBL10382417 0.80 ALDH1A1 (0.51) SMN1; SMN2HTTKMT2AMEN1ALDH1A1
SCHEMBL1284377 0.79 CA1 (0.57) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL13067989 0.78 IL2 (0.39) SMN1; SMN2KMT2AMEN1CA1CA2
SCHEMBL90903 0.78 NPC1 (0.41) SMN1; SMN2HTTKMT2AMEN1CA1

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-20090281100-A1 Benzimidazole quinolinones and uses thereof BARSANTI PAUL A 2009-11-12 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-20090281100-A1 Benzimidazole quinolinones and uses thereof GAA, ALPI, IL4I1 SMN1; SMN2 2956/4885HTT 3023/4885L3MBTL1 4413/4885

“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.