SCHEMBL4783365

SCHEMBL4783365

O=c1ccc(Oc2ccc([N+](=O)[O-])cc2F)c[nH]1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 7/20 0.58
ALDH1A1 P00352 6/20 0.44
KMT2A Q03164 5/20 0.44
MAPT P10636 4/20 0.44
MEN1 O00255 4/20 0.44
PDE7A Q13946 1/20 0.43
S1PR4 O95977 1/20 0.43
KDM4E B2RXH2 3/20 0.40
GAA P10253 3/20 0.40
LMNA P02545 2/20 0.40
GLA P06280 2/20 0.40
HTT P42858 2/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 1/20 0.40
HIF1A Q16665 1/20 0.40
PKM P14618 1/20 0.38
THRB P10828 1/20 0.37

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
SCHEMBL27859313 0.82 HSPB1 (0.82) HSPB1ALDH1A1KMT2AMAPTMEN1
SCHEMBL27858637 0.81 HSPB1 (0.57) HSPB1ALDH1A1KMT2AMAPTMEN1
SCHEMBL31287841 0.80 HSPB1 (0.82) HSPB1ALDH1A1KMT2AMAPTMEN1
SCHEMBL3179819 0.79 HSPB1 (0.56) HSPB1ALDH1A1KMT2AMAPTMEN1
SCHEMBL4781445 0.77 MAPK14 (0.40) HSPB1ALDH1A1KMT2AMAPTMEN1
SCHEMBL3131710 0.77 HSPB1 (0.68) HSPB1ALDH1A1KMT2AMAPTMEN1
SCHEMBL22069702 0.77 HSPB1 (0.68) HSPB1ALDH1A1KMT2AMAPTMEN1
SCHEMBL22069708 0.77 HSPB1 (0.68) HSPB1ALDH1A1KMT2AMAPTMEN1
SCHEMBL29351876 0.77 HSPB1 (0.68) HSPB1ALDH1A1KMT2AMAPTMEN1
SCHEMBL5167786 0.77 ALDH1A1 (0.71) HSPB1ALDH1A1KMT2AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 US disclosed
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 US disclosed
WO-2008046216-A1 KINASE INHIBITORS AND USES THEREOF METHYLGENE, INC. (CA) 2008-04-24 WO 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-20080255155-A1 KINASE INHIBITORS AND USES THEREOF ABL1, MAP3K20, MAP3K1 HSPB1 3174/4885ALDH1A1 3553/4885KMT2A 811/4885

“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.