SCHEMBL5526145

SCHEMBL5526145

C=C(C)Cc1c(O)c(C(C)=O)cc([N+](=O)[O-])c1NCCOC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
HCAR3 P49019 1/20 0.42
ALDH1A1 P00352 7/20 0.41
MAPT P10636 6/20 0.41
PTGER4 P35408 1/20 0.40
RAB9A P51151 1/20 0.40
PDGFRB P09619 1/20 0.37
FGFR1 P11362 1/20 0.37
PDGFRA P16234 1/20 0.37
FLT1 P17948 1/20 0.37
FGFR3 P22607 1/20 0.37
KDR P35968 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
G6PD P11413 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
GAA P10253 2/20 0.36

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
SCHEMBL2698796 0.94 LMNA (0.44) LMNAHCAR3ALDH1A1MAPTPTGER4
SCHEMBL2699920 0.74 PDGFRB (0.45) LMNAALDH1A1MAPTPDGFRBFGFR1
SCHEMBL5523378 0.73 LMNA (0.66) LMNAHCAR3ALDH1A1MAPTPTGER4
SCHEMBL5525616 0.72 LMNA (0.61) LMNAHCAR3ALDH1A1MAPTPTGER4
SCHEMBL23971023 0.72 LMNA (0.50) LMNAHCAR3ALDH1A1MAPTPTGER4
SCHEMBL30158920 0.72 LMNA (0.50) LMNAHCAR3ALDH1A1MAPTPTGER4
SCHEMBL10319562 0.72 ALDH1A1 (0.42) ALDH1A1MAPTPDGFRBFGFR1PDGFRA
SCHEMBL30669448 0.72 ALDH1A1 (0.42) ALDH1A1MAPTPDGFRBFGFR1PDGFRA
SCHEMBL15774534 0.71 HCAR3 (0.54) LMNAHCAR3ALDH1A1MAPTPTGER4
SCHEMBL5519443 0.71 LMNA (0.66) 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.