SCHEMBL1895092

SCHEMBL1895092

CC(=O)OCC(C)n1ccc2c(I)cccc2c1=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.38
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 6/20 0.32
ALDH1A1 P00352 6/20 0.32
TSHR P16473 2/20 0.32
HPGD P15428 1/20 0.32
NR5A1 Q13285 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
RORA P35398 2/20 0.32
HSD17B10 Q99714 1/20 0.32
NPBWR1 P48145 1/20 0.32

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
SCHEMBL1895091 1.00 P2RX7 (0.38) P2RX7MAPTL3MBTL1SMN1; SMN2LMNA
SCHEMBL15871637 0.89 P2RX7 (0.35) P2RX7MAPTL3MBTL1SMN1; SMN2LMNA
SCHEMBL13114614 0.86 P2RX7 (0.41) P2RX7MAPTL3MBTL1SMN1; SMN2LMNA
SCHEMBL305866 0.85 PARP1 (0.45) P2RX7SMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL305867 0.85 PARP1 (0.45) P2RX7SMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL3005033 0.85 PARP1 (0.45) P2RX7SMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL3001598 0.81 GAA (0.51) P2RX7MAPTL3MBTL1ALDH1A1NR5A1
SCHEMBL307058 0.81 GAA (0.51) P2RX7MAPTL3MBTL1ALDH1A1NR5A1
SCHEMBL307057 0.81 GAA (0.51) P2RX7MAPTL3MBTL1ALDH1A1NR5A1
SCHEMBL306727 0.81 P2RX7 (0.36) P2RX7ALDH1A1NPBWR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118287-A1 Bicycloheteroaryl Compounds As P2X7 Modulators and Uses Thereof RENOVIS, INC. (US) 2011-05-19 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-20110118287-A1 Bicycloheteroaryl Compounds As P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX1 P2RX7 1/4885MAPT 4534/4885L3MBTL1 4465/4885

“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.