SCHEMBL3053471

SCHEMBL3053471

CCOC(=O)c1cc2ccc(Oc3ccc(NC(=O)c4ccc(C(F)(F)F)cc4)cn3)cc2n1C

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.56
L3MBTL1 Q9Y468 3/20 0.51
GAA P10253 3/20 0.51
NPC1 O15118 1/20 0.51
TNF P01375 1/20 0.51
NOD1 Q9Y239 1/20 0.51
BRD4 O60885 1/20 0.50
MAPT P10636 3/20 0.49
MAPK1 P28482 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
STAT3 P40763 6/20 0.48
LIPE Q05469 3/20 0.46
KDM4E B2RXH2 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.44
SCN9A Q15858 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
SCHEMBL3051149 0.93 RAB9A (0.49) RAB9AL3MBTL1GAANPC1TNF
SCHEMBL3057099 0.90 MAPT (0.45) RAB9ABRD4MAPTSTAT3SMN1; SMN2
SCHEMBL3052988 0.89 RAB9A (0.47) RAB9AL3MBTL1GAANPC1TNF
SCHEMBL3063119 0.89 GAA (0.58) RAB9AL3MBTL1GAANPC1TNF
SCHEMBL3056038 0.85 RAB9A (0.58) RAB9AL3MBTL1GAANPC1TNF
SCHEMBL3066763 0.85 HRH3 (0.45) MAPTTDP1STAT3SMN1; SMN2LMNA
SCHEMBL3067963 0.84 RAB9A (0.49) RAB9AL3MBTL1GAANPC1TNF
SCHEMBL3059148 0.84 RAB9A (0.54) RAB9AL3MBTL1GAANPC1TNF
SCHEMBL3059957 0.84 RAB9A (0.54) RAB9AL3MBTL1GAANPC1TNF
SCHEMBL3061602 0.83 RAB9A (0.50) RAB9AL3MBTL1GAANPC1TNF

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 5 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
EP-2207773-A2 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF Otsuka Pharmaceutical Co., Ltd. (JP) 2010-07-21 EP disclosed
WO-2009057811-A2 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-05-07 WO 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 RAB9A 2502/4885L3MBTL1 4015/4885GAA 4287/4885

“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.