SCHEMBL4728753

SCHEMBL4728753

COc1ccc(Oc2ccc([N+](=O)[O-])cc2F)cn1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 6/20 0.58
S1PR4 O95977 1/20 0.48
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
PABPC1 P11940 2/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC22A12 Q96S37 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 2/20 0.41
PDE7A Q13946 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL5570170 0.86 MEN1 (0.46) HSPB1MEN1KMT2APABPC1POLB
SCHEMBL30879424 0.86 MEN1 (0.46) HSPB1MEN1KMT2APABPC1POLB
SCHEMBL1406484 0.85 HSPB1 (0.57) HSPB1S1PR4MEN1KMT2AMAPT
SCHEMBL261553 0.81 MEN1 (0.57) HSPB1MEN1KMT2APABPC1POLB
SCHEMBL22069628 0.80 HSPB1 (0.60) HSPB1S1PR4MEN1KMT2APOLB
SCHEMBL27859313 0.79 HSPB1 (0.82) HSPB1S1PR4MEN1KMT2APOLB
SCHEMBL26621351 0.78 HSPB1 (0.58) HSPB1S1PR4MEN1KMT2APOLB
SCHEMBL14045207 0.77 SLC22A12 (0.42) HSPB1SLC22A12ALDH1A1
SCHEMBL31694818 0.77 TDP1 (0.67) HSPB1S1PR4MEN1KMT2APOLB
SCHEMBL31287841 0.77 HSPB1 (0.82) HSPB1S1PR4MEN1KMT2APOLB

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 3174/4885S1PR4 3041/4885MEN1 1165/4885

“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.