SCHEMBL2853383

SCHEMBL2853383

Nc1ccc(F)c(Oc2ccc([N+](=O)[O-])cn2)c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 3/20 0.64
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
MAPT P10636 8/20 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 3/20 0.42
ALDH1A1 P00352 6/20 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
RAB9A P51151 1/20 0.39
PDE7A Q13946 1/20 0.39
PABPC1 P11940 2/20 0.39
HPGD P15428 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
SCHEMBL16792574 0.86 HSPB1 (0.80) HSPB1MEN1KMT2AMAPTNPSR1
SCHEMBL2853608 0.84 HSPB1 (0.68) HSPB1MEN1KMT2AMAPTNPSR1
SCHEMBL4715002 0.83 MAPT (0.57) HSPB1MEN1KMT2AMAPTL3MBTL1
SCHEMBL4715960 0.82 HSPB1 (0.57) HSPB1MEN1KMT2AMAPTNPSR1
SCHEMBL12594166 0.81 HSPB1 (0.57) HSPB1MEN1KMT2AMAPTNPSR1
SCHEMBL16792542 0.81 HSPB1 (0.75) HSPB1MEN1KMT2AMAPTNPSR1
SCHEMBL2195095 0.79 HSPB1 (0.60) HSPB1MEN1KMT2AMAPTL3MBTL1
SCHEMBL2455977 0.79 HSPB1 (0.67) HSPB1MEN1KMT2AMAPTNPSR1
SCHEMBL2853578 0.79 HSPB1 (0.60) HSPB1MEN1KMT2AMAPTNPSR1
SCHEMBL2859670 0.78 HSPB1 (0.57) HSPB1MEN1KMT2AMAPTNPSR1

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 3348/4885MEN1 627/4885KMT2A 974/4885

“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.