SCHEMBL2857702

SCHEMBL2857702

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 2/20 0.51
PPARG P37231 1/20 0.44
MAPT P10636 8/20 0.43
NPSR1 Q6W5P4 2/20 0.43
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
POLB P06746 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
RAB9A P51151 3/20 0.41
PABPC1 P11940 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL2857491 0.89 HSPB1 (0.54) HSPB1PPARGMAPTNPSR1POLB
SCHEMBL2857489 0.89 HSPB1 (0.54) HSPB1PPARGMAPTNPSR1POLB
SCHEMBL2855458 0.83 KMT2A (0.44) MAPTPOLBSMN1; SMN2RAB9AMEN1
SCHEMBL2453094 0.82 PPARG (0.54) HSPB1PPARGMAPTNPSR1PDK1
SCHEMBL2862003 0.79 HSPB1 (0.60) HSPB1PPARGMAPTNPSR1POLB
SCHEMBL2862000 0.79 HSPB1 (0.60) HSPB1PPARGMAPTNPSR1POLB
SCHEMBL826009 0.78 VCAM1 (0.44) MAPTNPSR1PDK1PDK2PDK3
SCHEMBL2853578 0.77 HSPB1 (0.60) HSPB1PPARGMAPTNPSR1POLB
SCHEMBL2859800 0.77 BRAF (0.46) HSPB1MAPTNPSR1SMN1; SMN2RAB9A
SCHEMBL3511018 0.74 HSPB1 (0.49) HSPB1PPARGMAPTNPSR1POLB

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 3348/4885PPARG 1696/4885MAPT 4439/4885

“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.