SCHEMBL5517552

SCHEMBL5517552

COCCNc1c([N+](=O)[O-])cc(C(C)=O)c2c1CC(C)(C)O2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
HCAR3 P49019 1/20 0.40
ALDH1A1 P00352 6/20 0.39
MAPT P10636 5/20 0.39
PTGER4 P35408 1/20 0.38
RAB9A P51151 1/20 0.38
NPC1 O15118 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 2/20 0.35
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL2695937 0.92 LMNA (0.42) LMNAHCAR3ALDH1A1MAPTPTGER4
SCHEMBL5525636 0.83 NPC1 (0.39) LMNAALDH1A1MAPTPTGER4NPC1
SCHEMBL2697504 0.76 PDGFRB (0.39) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL10285367 0.75 NPC1 (0.37) ALDH1A1NPC1
SCHEMBL2698809 0.74 NPC1 (0.39) ALDH1A1MAPTPTGER4NPC1GAA
SCHEMBL5523378 0.71 LMNA (0.66) LMNAHCAR3ALDH1A1MAPTPTGER4
SCHEMBL2696584 0.70 PDGFRB (0.39) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL2697916 0.70 PDGFRB (0.39) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL5526145 0.69 LMNA (0.44) LMNAHCAR3ALDH1A1MAPTPTGER4
SCHEMBL15774534 0.69 HCAR3 (0.54) LMNAHCAR3ALDH1A1MAPTPTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8519149-B2 Tricyclic compounds as mPGES-1 inhibitors GLENMARK PHARMACEUTICALS S.A. (CH) 2013-08-27 US disclosed
US-20120108583-A1 Tricyclic Compounds As mPGES-1 Inhibitors GLENMARK PHARMACEUTICALS S.A. (CH) 2012-05-03 US 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-20120108583-A1 Tricyclic Compounds As mPGES-1 Inhibitors PTGES, PTGS1, PTGIS LMNA 3574/4885HCAR3 849/4885ALDH1A1 263/4885

“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.