SCHEMBL13312249

SCHEMBL13312249

COc1ccc(-c2ocnc2C(C)=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.60
CDK2 P24941 1/20 0.58
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
KDM4E B2RXH2 6/20 0.53
ALDH1A1 P00352 5/20 0.53
MAPT P10636 3/20 0.53
HTT P42858 1/20 0.53
IDO1 P14902 1/20 0.52
LMNA P02545 3/20 0.51
HPGD P15428 3/20 0.51
HSD17B10 Q99714 1/20 0.51
POLB P06746 2/20 0.48
ADORA2A P29274 1/20 0.46
NPC1 O15118 1/20 0.46
PKM P14618 1/20 0.44
MDM2 Q00987 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL1167270 0.88 GSK3B (0.63) GSK3BCDK2KMT2AMEN1KDM4E
SCHEMBL13617383 0.86 ADORA2A (0.65) GSK3BCDK2KMT2AMEN1KDM4E
SCHEMBL12954685 0.86 GSK3B (0.58) GSK3BCDK2KMT2AMEN1KDM4E
SCHEMBL13407888 0.84 GSK3B (0.71) GSK3BCDK2KMT2AMEN1KDM4E
SCHEMBL13389556 0.82 GSK3B (0.55) GSK3BCDK2KMT2AMEN1KDM4E
SCHEMBL16072946 0.82 MEN1 (0.56) GSK3BCDK2KMT2AMEN1KDM4E
SCHEMBL25062620 0.81 GSK3B (0.54) GSK3BCDK2KMT2AMEN1KDM4E
SCHEMBL3119080 0.81 TARBP2 (0.57) GSK3BCDK2KMT2AMEN1KDM4E
SCHEMBL10202043 0.81 GAA (0.66) GSK3BCDK2KMT2AMEN1KDM4E
SCHEMBL13312245 0.80 ADORA2A (0.70) GSK3BKMT2AMEN1KDM4EALDH1A1

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-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 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-20100160255-A1 SPIRO-CYCLIC COMPOUND ACACA, CPT1B, PC GSK3B 1089/4885CDK2 1470/4885KMT2A 3284/4885

“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.