SCHEMBL4528943

SCHEMBL4528943

CC(N)c1ccc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.60
TSHR P16473 2/20 0.59
LMNA P02545 1/20 0.59
HCAR3 P49019 13/20 0.58
PDK1 Q15118 1/20 0.55
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51

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
Hydrochloric Acid SCHEMBL6560244 0.98 CASP6 (0.58) CASP6TSHRLMNAHCAR3PDK1
Hydrochloric Acid SCHEMBL6560239 0.98 CASP6 (0.58) CASP6TSHRLMNAHCAR3PDK1
SCHEMBL7573511 0.87 PDK1 (0.70) CASP6TSHRLMNAHCAR3PDK1
SCHEMBL23752094 0.86 CASP6 (0.62) CASP6TSHRLMNAHCAR3PDK1
SCHEMBL27481317 0.84 CASP6 (0.60) CASP6TSHRLMNAHCAR3PDK1
SCHEMBL16285736 0.84 CASP6 (0.60) CASP6TSHRLMNAHCAR3PDK1
SCHEMBL21319 0.82 CASP6 (0.57) CASP6TSHRLMNAHCAR3PDK1
SCHEMBL7043138 0.81 CASP6 (0.64) CASP6TSHRLMNAHCAR3PDK1
SCHEMBL7043142 0.81 CASP6 (0.64) CASP6TSHRLMNAHCAR3PDK1
SCHEMBL6560138 0.80 HCAR3 (0.57) CASP6TSHRLMNAHCAR3PDK1

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-20090233960-A1 Kinase Inhibitors DEVGEN NV (BE) 2009-09-17 US disclosed
EP-1934181-A2 KINASE INHIBITORS Devgen NV (BE) 2008-06-25 EP disclosed
WO-2007042321-A2 KINASE INHIBITORS DEVGEN N.V. (BE) 2007-04-19 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-20090233960-A1 Kinase Inhibitors ROCK1, MAP3K1, MAP3K11 CASP6 2330/4885TSHR 1584/4885LMNA 878/4885

“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.