SCHEMBL3064432

SCHEMBL3064432

COC(=O)c1cc2ccc(Oc3ccc(NC(=O)c4ccc(C(F)(F)F)cc4OC)cn3)cc2n1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
MAPT P10636 2/20 0.49
MAPK1 P28482 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
RAB9A P51151 2/20 0.48
RAF1 P04049 1/20 0.46
KDM4E B2RXH2 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SCN9A Q15858 1/20 0.43
LMNA P02545 1/20 0.43
SCN8A Q9UQD0 2/20 0.43
SCN10A Q9Y5Y9 2/20 0.43
AVPR2 P30518 1/20 0.42
GPR27 Q9NS67 1/20 0.42
NPC1 O15118 1/20 0.42
TNF P01375 1/20 0.42
NOD1 Q9Y239 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL3054652 0.94 GAA (0.50) GAAL3MBTL1MAPTMAPK1TDP1
SCHEMBL3067529 0.91 GAA (0.49) GAAL3MBTL1MAPTMAPK1TDP1
SCHEMBL3066509 0.84 GAA (0.51) GAAL3MBTL1MAPTMAPK1TDP1
SCHEMBL3059637 0.83 GAA (0.51) GAAL3MBTL1MAPTMAPK1TDP1
SCHEMBL3052988 0.83 RAB9A (0.47) GAAL3MBTL1MAPTMAPK1TDP1
SCHEMBL3059166 0.83 STAT3 (0.58)
SCHEMBL10181168 0.83 STAT3 (0.63)
SCHEMBL3056038 0.82 RAB9A (0.58) GAAL3MBTL1MAPTMAPK1TDP1
SCHEMBL3052983 0.82 STAT3 (0.57)
SCHEMBL3046528 0.82 STAT3 (0.56)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
EP-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 EP disclosed
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 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-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF COL1A1, COL2A1, COL14A1 GAA 4287/4885L3MBTL1 4015/4885MAPT 4138/4885

“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.