SCHEMBL1590818

SCHEMBL1590818

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 1/20 0.48
POLB P06746 3/20 0.48
TP53 P04637 2/20 0.48
P2RX7 Q99572 5/20 0.44
ALDH1A1 P00352 3/20 0.41
RXFP1 Q9HBX9 2/20 0.41
GRM2 Q14416 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 2/20 0.38
MAPT P10636 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
SCHEMBL13046659 0.93 PARP14 (0.49) PARP14POLBTP53P2RX7ALDH1A1
SCHEMBL1590626 0.89 P2RX7 (0.44) POLBP2RX7ALDH1A1GRM2KDM4E
SCHEMBL1591526 0.87 P2RX7 (0.45) POLBTP53P2RX7ALDH1A1RXFP1
SCHEMBL1590473 0.87 P2RX7 (0.52) POLBTP53P2RX7ALDH1A1GRM2
SCHEMBL1591191 0.87 P2RX7 (0.51) PARP14POLBTP53P2RX7ALDH1A1
SCHEMBL1591798 0.86 P2RX7 (0.50) POLBTP53P2RX7ALDH1A1RXFP1
SCHEMBL1590922 0.85 POLB (0.44) POLBTP53P2RX7ALDH1A1RXFP1
SCHEMBL1591178 0.84 PARP14 (0.48) PARP14POLBTP53P2RX7ALDH1A1
SCHEMBL13046695 0.83 RXFP1 (0.56) PARP14POLBTP53P2RX7ALDH1A1
SCHEMBL13047379 0.83 POLB (0.52) PARP14POLBTP53P2RX7ALDH1A1

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 9 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
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 PARP14 2099/4885POLB 3676/4885TP53 4589/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 PARP14 2099/4885POLB 3676/4885TP53 4589/4885

“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.