SCHEMBL2853263

SCHEMBL2853263

O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cn2)c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.66
MAPT P10636 4/20 0.65
L3MBTL1 Q9Y468 3/20 0.65
MAPK1 P28482 2/20 0.65
TDP1 Q9NUW8 1/20 0.65
KDR P35968 3/20 0.62
PDGFRB P09619 1/20 0.62
KIT P10721 1/20 0.62
FGFR1 P11362 1/20 0.62
BRAF P15056 1/20 0.62
PDGFRA P16234 1/20 0.62
FLT1 P17948 1/20 0.62
FGFR3 P22607 1/20 0.62
TEK Q02763 1/20 0.62
RAB9A P51151 2/20 0.60
GPR17 Q13304 1/20 0.56
KDM4E B2RXH2 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
ALDH1A1 P00352 1/20 0.55
RXFP1 Q9HBX9 2/20 0.53

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
SCHEMBL2851508 0.87 BRAF (0.57) GAAMAPTL3MBTL1MAPK1TDP1
SCHEMBL22206733 0.86 FFAR1 (0.71) MAPTKDRPDGFRBKITFGFR1
SCHEMBL2857613 0.85 GAA (0.54) GAAMAPTL3MBTL1MAPK1TDP1
SCHEMBL2859339 0.84 GAA (0.71) GAAMAPTL3MBTL1MAPK1TDP1
SCHEMBL3506280 0.84 MAPT (0.70) GAAMAPTL3MBTL1MAPK1TDP1
SCHEMBL2192224 0.82 FFAR1 (0.74) GAAMAPTKDRGPR17KDM4E
SCHEMBL2857553 0.81 PPARG (0.48) GAAMAPTL3MBTL1MAPK1TDP1
SCHEMBL2858917 0.81 HSPB1 (0.54) GAAMAPTL3MBTL1MAPK1TDP1
SCHEMBL2858921 0.81 HSPB1 (0.54) GAAMAPTL3MBTL1MAPK1TDP1
SCHEMBL29151324 0.80 PTGS1 (0.67) GAAMAPTTDP1RAB9AGPR17

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2184285-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-11-04 EP disclosed
US-8344135-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-01 US disclosed
US-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 US disclosed
EP-2184285-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-05-12 EP 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-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 GAA 3803/4885MAPT 4439/4885L3MBTL1 3082/4885

“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.