SCHEMBL3067529

SCHEMBL3067529

COC(=O)c1cc2ccc(Oc3ccc(NC(=O)c4ccc(C(F)(F)F)cc4C(F)(F)F)cn3)cc2n1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.49
RAB9A P51151 2/20 0.49
L3MBTL1 Q9Y468 3/20 0.48
MAPT P10636 2/20 0.48
MAPK1 P28482 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
KDM4E B2RXH2 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.43
SCN9A Q15858 5/20 0.43
NPC1 O15118 1/20 0.43
TNF P01375 1/20 0.43
NOD1 Q9Y239 1/20 0.43
PKM P14618 1/20 0.43
BRD4 O60885 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.42
KDR P35968 1/20 0.42
TEK Q02763 1/20 0.42
RAF1 P04049 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
SCHEMBL3066509 0.93 GAA (0.51) GAARAB9AL3MBTL1MAPTMAPK1
SCHEMBL3064432 0.91 GAA (0.49) GAARAB9AL3MBTL1MAPTMAPK1
SCHEMBL3054652 0.85 GAA (0.50) GAARAB9AL3MBTL1MAPTMAPK1
SCHEMBL3059637 0.84 GAA (0.51) GAARAB9AL3MBTL1MAPTMAPK1
SCHEMBL3052988 0.84 RAB9A (0.47) GAARAB9AL3MBTL1MAPTMAPK1
SCHEMBL3056038 0.83 RAB9A (0.58) GAARAB9AL3MBTL1MAPTMAPK1
SCHEMBL3063119 0.81 GAA (0.58) GAARAB9AL3MBTL1MAPTMAPK1
SCHEMBL3053471 0.81 RAB9A (0.56) GAARAB9AL3MBTL1MAPTMAPK1
Hydrochloric Acid SCHEMBL3057312 0.81 STAT3 (0.62) STAT3
Bromide SCHEMBL10181914 0.80 STAT3 (0.57) STAT3

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 4287/4885RAB9A 2502/4885L3MBTL1 4015/4885

“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.