SCHEMBL1591200

SCHEMBL1591200

COc1ccc(CC(=O)Nc2cccc3c(=O)n(CC(C)O)ccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.54
GRM2 Q14416 3/20 0.53
KDM4E B2RXH2 3/20 0.50
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PARP14 Q460N5 1/20 0.48
KCNQ2 O43526 1/20 0.47
P2RX7 Q99572 3/20 0.47
POLB P06746 1/20 0.47
NR5A1 Q13285 1/20 0.47
HPGD P15428 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 1/20 0.45
LCK P06239 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL1591621 0.92 POLB (0.50) TP53GRM2KDM4EMAPK1ALDH1A1
SCHEMBL1590800 0.91 POLB (0.60) TP53GRM2KDM4EALDH1A1PARP14
SCHEMBL1591166 0.91 GRM2 (0.53) TP53GRM2KDM4EMAPK1ALDH1A1
SCHEMBL1590790 0.90 RORA (0.49) TP53GRM2ALDH1A1SMN1; SMN2P2RX7
SCHEMBL1590987 0.89 P2RX7 (0.49) TP53GRM2KDM4EALDH1A1SMN1; SMN2
SCHEMBL1590696 0.88 LMNA (0.52) TP53GRM2KDM4EMAPK1ALDH1A1
SCHEMBL1590452 0.88 LMNA (0.49) TP53GRM2KDM4EMAPK1ALDH1A1
SCHEMBL1590267 0.87 P2RX7 (0.47) KDM4EMAPK1ALDH1A1SMN1; SMN2PARP14
SCHEMBL1590296 0.87 P2RX7 (0.62) TP53GRM2KDM4EMAPK1ALDH1A1
SCHEMBL13047083 0.86 GRM2 (0.53) TP53GRM2KDM4EMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2011-04-21 US claimed
US-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 US claimed
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2007-09-27 US claimed
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-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
US-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 US disclosed
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2007-09-27 US 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 TP53 4589/4885GRM2 332/4885KDM4E 4128/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 TP53 4589/4885GRM2 332/4885KDM4E 4128/4885

“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.