SCHEMBL5525636

SCHEMBL5525636

COCCNc1c(N)cc(C(C)=O)c2c1CC(C)(C)O2

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
PTGER4 P35408 2/20 0.36
ALDH1A1 P00352 3/20 0.32
MAPT P10636 1/20 0.32
PTGES O14684 7/20 0.32
TERT O14746 1/20 0.32
EZH2 Q15910 1/20 0.32
ALOX5 P09917 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
KMT2A Q03164 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
HIF1A Q16665 1/20 0.31
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31
ALPL P05186 1/20 0.31

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
SCHEMBL2698809 0.91 NPC1 (0.39) NPC1PTGER4ALDH1A1MAPTPTGES
SCHEMBL5517552 0.83 LMNA (0.42) NPC1PTGER4ALDH1A1MAPTKMT2A
SCHEMBL10285367 0.76 NPC1 (0.37) NPC1ALDH1A1PTGESEZH2ALOX5
SCHEMBL5521738 0.75 KMT2A (0.33) ALDH1A1MAPTPTGESEZH2KMT2A
SCHEMBL2695937 0.74 LMNA (0.42) NPC1PTGER4ALDH1A1MAPTKMT2A
SCHEMBL2698798 0.74 KDM4E (0.40) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL28525953 0.74 FFAR4 (0.32) KMT2A
SCHEMBL29822513 0.74 FFAR4 (0.32) KMT2A
SCHEMBL11957819 0.70 PARP1 (0.37) NPC1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL2699346 0.70 ALDH1A1 (0.41) NPC1ALDH1A1MAPTKDM4EGAA

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 NPC1 506/4885PTGER4 12/4885ALDH1A1 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.