SCHEMBL1590922

SCHEMBL1590922

Cc1ccc(C)c(C(=O)Nc2cccc3c(=O)n(CC(C)(C)O)ccc23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
TP53 P04637 1/20 0.44
GRM2 Q14416 1/20 0.41
PARP1 P09874 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
RXFP1 Q9HBX9 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
P2RX7 Q99572 1/20 0.37
HTT P42858 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HPGD P15428 1/20 0.37
CNR1 P21554 2/20 0.37

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
SCHEMBL13047447 0.93 POLB (0.45) POLBTP53GRM2PARP1L3MBTL1
SCHEMBL1590374 0.92 KMT2A (0.47) POLBTP53GRM2PARP1L3MBTL1
SCHEMBL1590750 0.89 PARP1 (0.53) POLBTP53GRM2PARP1L3MBTL1
SCHEMBL1590818 0.85 PARP14 (0.48) POLBTP53GRM2RXFP1KDM4E
SCHEMBL1590825 0.84 SMN1; SMN2 (0.44) POLBTP53PARP1SMN1; SMN2KDM4E
SCHEMBL1590529 0.84 POLB (0.44) POLBTP53GRM2PARP1L3MBTL1
SCHEMBL13047503 0.84 RXFP1 (0.55) POLBTP53GRM2RXFP1KDM4E
SCHEMBL13047134 0.83 MAPT (0.45) POLBTP53PARP1SMN1; SMN2KMT2A
SCHEMBL13046842 0.83 POLB (0.48) POLBTP53GRM2PARP1L3MBTL1
SCHEMBL13047130 0.83 P2RX7 (0.44) POLBTP53GRM2L3MBTL1SMN1; SMN2

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 POLB 3676/4885TP53 4589/4885GRM2 332/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 POLB 3676/4885TP53 4589/4885GRM2 332/4885

“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.