SCHEMBL3054544

SCHEMBL3054544

Cn1c(C(=O)O)cc2cc(Oc3ccc(NC(=O)c4ccc(C(F)(F)F)cc4)cn3)ccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.58
RAB9A P51151 3/20 0.58
L3MBTL1 Q9Y468 3/20 0.55
NPC1 O15118 1/20 0.55
TNF P01375 1/20 0.55
NOD1 Q9Y239 1/20 0.55
MAPK1 P28482 3/20 0.52
MAPT P10636 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
BRD4 O60885 1/20 0.51
LIPE Q05469 7/20 0.49
KDM4E B2RXH2 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PKM P14618 1/20 0.46
GALR3 O60755 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.45
KCNQ3 O43525 1/20 0.45
KCNQ2 O43526 1/20 0.45

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
SCHEMBL3063119 0.93 GAA (0.58) GAARAB9AL3MBTL1NPC1TNF
SCHEMBL3056038 0.93 RAB9A (0.58) GAARAB9AL3MBTL1NPC1TNF
SCHEMBL3051748 0.86 SCN9A (0.53) GAARAB9AL3MBTL1NPC1TNF
SCHEMBL3059426 0.85 MAPT (0.55) GAARAB9AL3MBTL1NPC1TNF
SCHEMBL3061602 0.85 RAB9A (0.50) GAARAB9AL3MBTL1NPC1TNF
SCHEMBL3056834 0.85 SCN9A (0.50) GAARAB9AL3MBTL1NPC1TNF
SCHEMBL3059483 0.84 RAB9A (0.49) GAARAB9AL3MBTL1NPC1TNF
SCHEMBL3052003 0.83 RAB9A (0.52) GAARAB9AL3MBTL1NPC1TNF
SCHEMBL3046083 0.83 SCN9A (0.48) GAARAB9AL3MBTL1NPC1TNF
SCHEMBL3046088 0.83 SCN9A (0.48) GAARAB9AL3MBTL1NPC1TNF

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 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.