SCHEMBL3059957

SCHEMBL3059957

CCOC(=O)c1cc2c(Oc3ccc(NC(=O)c4ccc(C(F)(F)F)cc4)cn3)cccc2n1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.54
L3MBTL1 Q9Y468 3/20 0.49
GAA P10253 3/20 0.49
NPC1 O15118 1/20 0.49
TNF P01375 1/20 0.49
NOD1 Q9Y239 1/20 0.49
MAPT P10636 3/20 0.47
MAPK1 P28482 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
RXFP1 Q9HBX9 1/20 0.43
KDM4E B2RXH2 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
BRD4 O60885 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RAF1 P04049 1/20 0.42
HTR2C P28335 3/20 0.42
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
KCNE1 P15382 1/20 0.42
KCNQ1 P51787 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
SCHEMBL3067963 0.92 RAB9A (0.49) RAB9AL3MBTL1GAANPC1TNF
SCHEMBL3062363 0.89 GAA (0.55) RAB9AL3MBTL1GAANPC1TNF
SCHEMBL3059148 0.87 RAB9A (0.54) RAB9AL3MBTL1GAANPC1TNF
SCHEMBL3053471 0.84 RAB9A (0.56) RAB9AL3MBTL1GAANPC1TNF
SCHEMBL3052003 0.81 RAB9A (0.52) RAB9AL3MBTL1GAANPC1TNF
SCHEMBL3056981 0.80 RAB9A (0.51) RAB9AL3MBTL1GAANPC1TNF
Bromide SCHEMBL3055824 0.78 SCN9A (0.48) RAB9AL3MBTL1GAANPC1TNF
SCHEMBL3055399 0.78 STAT3 (0.55)
SCHEMBL3056623 0.77 PRKAA2 (0.47)
SCHEMBL3051149 0.77 RAB9A (0.49) 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.