SCHEMBL1590529

SCHEMBL1590529

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 5/20 0.43
PARP1 P09874 1/20 0.40
GRM2 Q14416 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
RXFP1 Q9HBX9 1/20 0.38
RORA P35398 1/20 0.38
NR5A1 Q13285 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL1590511 0.92 KMT2A (0.47) POLBTP53MAPTPARP1GRM2
SCHEMBL17577838 0.91 GRM5 (0.42) POLBTP53MAPTGRM2KDM4E
SCHEMBL1590592 0.90 KDM4E (0.42) POLBTP53MAPTGRM2L3MBTL1
SCHEMBL1590921 0.90 MAPT (0.51) POLBTP53MAPTPARP1KDM4E
SCHEMBL1591139 0.89 PARP1 (0.53) POLBTP53MAPTPARP1GRM2
SCHEMBL1590420 0.85 KMT2A (0.51) POLBTP53MAPTL3MBTL1LMNA
SCHEMBL1591452 0.85 PARP1 (0.44) POLBTP53MAPTPARP1LMNA
SCHEMBL1591178 0.85 PARP14 (0.48) POLBTP53MAPTGRM2L3MBTL1
SCHEMBL13047447 0.84 POLB (0.45) POLBTP53MAPTPARP1GRM2
SCHEMBL1591037 0.84 MAPT (0.48) POLBTP53MAPTPARP1KDM4E

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 4589/4885MAPT 4477/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 POLB 3676/4885TP53 4589/4885MAPT 4477/4885

“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.