Sugi Predict

Sugi Predict / Compounds / SCHEMBL1590645

SCHEMBL1590645

SCHEMBL1590645

COC(=O)C(CO[Si](C)(C)C(C)(C)C)n1ccc2c([N+](=O)[O-])cccc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.34
▸ ELANE P08246 1/20 0.33
▸ POLB P06746 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 2/20 0.32
▸ ATM Q13315 1/20 0.32
▸ NR5A1 Q13285 1/20 0.32
▸ AKR1C4 P17516 1/20 0.32
▸ AKR1C3 P42330 1/20 0.32
▸ AKR1C2 P52895 1/20 0.32
▸ AKR1C1 Q04828 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HPGD P15428 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
SCHEMBL1590646 1.00 GAA (0.43) GAAALDH1A1L3MBTL1NPSR1TDP1
SCHEMBL1590093 0.90 GAA (0.45) GAAALDH1A1L3MBTL1TDP1ELANE
SCHEMBL1590007 0.84 PARP1 (0.38) GAAALDH1A1L3MBTL1ELANETP53
SCHEMBL1590006 0.84 PARP1 (0.38) GAAALDH1A1L3MBTL1ELANETP53
SCHEMBL13114648 0.83 GAA (0.43) GAAALDH1A1L3MBTL1TDP1ELANE
SCHEMBL1591182 0.83 GAA (0.51) GAAALDH1A1L3MBTL1NPSR1TDP1
SCHEMBL1591183 0.83 GAA (0.51) GAAALDH1A1L3MBTL1NPSR1TDP1
SCHEMBL8233329 0.77 GAA (0.54) GAAALDH1A1L3MBTL1NPSR1TDP1
SCHEMBL1591195 0.75 GAA (0.52) GAAALDH1A1L3MBTL1NPSR1TDP1
SCHEMBL1591194 0.75 GAA (0.52) GAAALDH1A1L3MBTL1NPSR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1933622-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-03-09 — — EP disclosed
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2011-04-21 — — US disclosed
US-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 — — US disclosed
EP-1933622-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2008-06-25 — — EP disclosed
WO-2007109192-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 — — WO disclosed
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2007-09-27 — — 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 (2 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-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 GAA 4179/4885ALDH1A1 3640/4885L3MBTL1 4476/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 GAA 4179/4885ALDH1A1 3640/4885L3MBTL1 4476/4885

“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.