SCHEMBL2450899

SCHEMBL2450899

Nc1cc(Oc2ccc([N+](=O)[O-])cn2)ccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 2/20 0.59
MAPT P10636 5/20 0.54
NPSR1 Q6W5P4 1/20 0.54
L3MBTL1 Q9Y468 3/20 0.52
GAA P10253 2/20 0.52
PPARG P37231 1/20 0.50
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
LMNA P02545 4/20 0.47
ALDH1A1 P00352 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
HTT P42858 2/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HPGD P15428 1/20 0.46
PDE7A Q13946 1/20 0.45
RAB9A P51151 2/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
RECQL P46063 1/20 0.43

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
SCHEMBL26151031 0.89 HSPB1 (0.65) HSPB1MAPTNPSR1L3MBTL1GAA
SCHEMBL11162289 0.88 HSPB1 (0.63) HSPB1MAPTNPSR1L3MBTL1GAA
SCHEMBL2455977 0.84 HSPB1 (0.67) HSPB1MAPTNPSR1L3MBTL1GAA
SCHEMBL12595069 0.83 HSPB1 (0.60) HSPB1MAPTNPSR1L3MBTL1GAA
SCHEMBL6208366 0.83 HSPB1 (0.60) HSPB1MAPTNPSR1L3MBTL1GAA
SCHEMBL23926985 0.82 HSPB1 (0.59) HSPB1MAPTNPSR1L3MBTL1GAA
SCHEMBL30079719 0.82 HSPB1 (0.59) HSPB1MAPTNPSR1L3MBTL1GAA
SCHEMBL1498294 0.82 HSPB1 (0.67) HSPB1MAPTNPSR1L3MBTL1GAA
SCHEMBL12595066 0.81 HTT (0.58) HSPB1MAPTNPSR1L3MBTL1GAA
SCHEMBL11274403 0.80 HSPB1 (0.73) 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 8 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
EP-2399921-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-08-12 EP disclosed
US-8697874-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-04-15 US disclosed
US-8344135-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-01 US disclosed
EP-2399921-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-12-28 EP disclosed
US-20110237620-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-29 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 (2 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
US-20110237620-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NR3C2, RAF1 HSPB1 2059/4885MAPT 4487/4885NPSR1 684/4885

“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.