SCHEMBL307351

SCHEMBL307351

COc1ccc2c(=O)n(C(C)C(N)=O)ccc2c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
P2RX7 Q99572 2/20 0.40
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
ALOX5 P09917 1/20 0.34
HTT P42858 2/20 0.33
GRIN2D O15399 2/20 0.33
GRIN3B O60391 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
GRIN2B Q13224 2/20 0.33
GRIN2C Q14957 2/20 0.33
GRIN3A Q8TCU5 2/20 0.33
MAPT P10636 2/20 0.33

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
SCHEMBL307350 1.00 POLB (0.46) POLBKDM4ECTDSP1TDP1L3MBTL1
SCHEMBL306078 0.84 P2RX7 (0.49) POLBKDM4ECTDSP1TDP1L3MBTL1
SCHEMBL306079 0.84 P2RX7 (0.49) POLBKDM4ECTDSP1TDP1L3MBTL1
SCHEMBL307748 0.84 P2RX7 (0.49) POLBKDM4ECTDSP1TDP1L3MBTL1
SCHEMBL307398 0.83 P2RX7 (0.42) POLBKDM4EL3MBTL1P2RX7ALDH1A1
SCHEMBL307399 0.83 P2RX7 (0.42) POLBKDM4EL3MBTL1P2RX7ALDH1A1
SCHEMBL10211408 0.80 P2RX7 (0.40) POLBKDM4EP2RX7ALDH1A1LMNA
SCHEMBL1590051 0.77 GAA (0.57) POLBKDM4ETDP1P2RX7MEN1
SCHEMBL1589824 0.77 GAA (0.57) POLBKDM4ETDP1P2RX7MEN1
SCHEMBL1589828 0.77 GAA (0.57) POLBKDM4ETDP1P2RX7MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2124562-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-04-20 EP disclosed
EP-1933622-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-03-09 EP disclosed
US-8093265-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2012-01-10 US 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-2124562-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2009-12-02 EP disclosed
US-20080287415-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2008-11-20 US disclosed
WO-2008112205-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2008-09-18 WO 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 (3 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-20080287415-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 POLB 3774/4885KDM4E 4307/4885CTDSP1 4226/4885
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 POLB 3676/4885KDM4E 4128/4885CTDSP1 4065/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 POLB 3676/4885KDM4E 4128/4885CTDSP1 4065/4885

“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.