SCHEMBL4188918

SCHEMBL4188918

COc1ccc(C=C2CCN(C(=O)OCc3ccccc3)CC2)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.50
PTGDR2 Q9Y5Y4 14/20 0.47
GSK3B P49841 1/20 0.47
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL4180010 0.89 HDAC2 (0.48) HDAC2PTGDR2MAPTMEN1KMT2A
SCHEMBL4179970 0.87 HDAC2 (0.52) HDAC2GSK3BMAPTMEN1KMT2A
SCHEMBL13982008 0.84 HDAC2 (0.60) HDAC2PTGDR2MEN1KMT2A
SCHEMBL4179142 0.83 HTT (0.48) PTGDR2MAPTMEN1KMT2ALMNA
SCHEMBL4179143 0.83 HTT (0.48) PTGDR2MAPTMEN1KMT2ALMNA
SCHEMBL13927873 0.76 TUBB4A (0.51) GSK3BMAPTMEN1KMT2ALMNA
SCHEMBL14040581 0.75 MEN1 (0.54) HDAC2MAPTMEN1KMT2AHTT
SCHEMBL23303315 0.74 HDAC2 (0.55) HDAC2PTGDR2MEN1KMT2A
SCHEMBL13739501 0.74 HDAC2 (0.55) HDAC2PTGDR2MEN1KMT2A
SCHEMBL18970182 0.74 ALDH1A1 (0.47) MAPTMEN1KMT2ALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042874-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2009-02-12 US disclosed
US-20090042874-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2009-02-12 US disclosed
US-20090042874-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2009-02-12 US disclosed
WO-2008150848-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2008-12-11 WO disclosed
WO-2008150848-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2008-12-11 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-20090042874-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS HTR5A, CRH, CYP17A1 HDAC2 1297/4885PTGDR2 916/4885GSK3B 339/4885

“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.