SCHEMBL5525616

SCHEMBL5525616

C=C(C)COc1cc(NCCOC)c([N+](=O)[O-])cc1C(C)=O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.61
MAPT P10636 6/20 0.56
ALDH1A1 P00352 4/20 0.56
HCAR3 P49019 1/20 0.51
PTGER4 P35408 1/20 0.47
RAB9A P51151 1/20 0.47
POLB P06746 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
FBP1 P09467 1/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL2698678 0.92 LMNA (0.60) LMNAMAPTALDH1A1HCAR3PTGER4
SCHEMBL5523378 0.81 LMNA (0.66) LMNAMAPTALDH1A1HCAR3PTGER4
SCHEMBL5519443 0.81 LMNA (0.66) LMNAMAPTALDH1A1HCAR3PTGER4
SCHEMBL5519436 0.80 LMNA (0.64) LMNAMAPTALDH1A1HCAR3PTGER4
SCHEMBL2700000 0.78 LMNA (0.64) LMNAMAPTALDH1A1HCAR3PTGER4
SCHEMBL2696972 0.77 ALDH1A1 (0.46) LMNAMAPTALDH1A1HCAR3RAB9A
SCHEMBL15774533 0.74 LMNA (0.66) LMNAMAPTALDH1A1HCAR3PTGER4
SCHEMBL2698755 0.74 LMNA (0.66) LMNAMAPTALDH1A1HCAR3PTGER4
SCHEMBL2554303 0.74 HCAR3 (0.67) LMNAMAPTALDH1A1HCAR3PTGER4
SCHEMBL2698365 0.73 LMNA (0.64) LMNAMAPTALDH1A1HCAR3PTGER4

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 3574/4885MAPT 910/4885ALDH1A1 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.