SCHEMBL2853608

SCHEMBL2853608

Nc1cc(Oc2ccc([N+](=O)[O-])cn2)c(F)cc1F

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 4/20 0.68
MAPT P10636 7/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
HTT P42858 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 1/20 0.42
BLM P54132 1/20 0.41
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
S1PR4 O95977 1/20 0.39
RAB9A P51151 1/20 0.39
HPGD P15428 1/20 0.39
PABPC1 P11940 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL2853578 0.89 HSPB1 (0.60) HSPB1MAPTNPSR1L3MBTL1GAA
SCHEMBL2853383 0.84 HSPB1 (0.64) HSPB1MAPTNPSR1L3MBTL1GAA
SCHEMBL2455977 0.82 HSPB1 (0.67) HSPB1MAPTNPSR1L3MBTL1GAA
SCHEMBL16792574 0.81 HSPB1 (0.80) HSPB1MAPTNPSR1L3MBTL1GAA
SCHEMBL2862000 0.78 HSPB1 (0.60) HSPB1MAPTNPSR1L3MBTL1GAA
SCHEMBL2862003 0.78 HSPB1 (0.60) HSPB1MAPTNPSR1L3MBTL1GAA
SCHEMBL4717571 0.78 HSPB1 (0.60) HSPB1MAPTNPSR1L3MBTL1GAA
SCHEMBL16792542 0.78 HSPB1 (0.75) HSPB1MAPTNPSR1L3MBTL1GAA
SCHEMBL27449389 0.76 HSPB1 (0.70) HSPB1MAPTNPSR1L3MBTL1GAA
SCHEMBL16792621 0.76 HSPB1 (0.67) HSPB1MAPTNPSR1L3MBTL1GAA

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 HSPB1 3348/4885MAPT 4439/4885NPSR1 3385/4885

“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.