SCHEMBL1590867

SCHEMBL1590867

Cc1ccc(C)c(CC(=O)Nc2cccc3c(=O)n(CC4(O)CCCCC4)ccc23)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 1/20 0.45
POLB P06746 3/20 0.45
TP53 P04637 1/20 0.45
P2RX7 Q99572 8/20 0.40
ALDH1A1 P00352 3/20 0.38
HTT P42858 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 1/20 0.36
GRM2 Q14416 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL1590597 0.90 POLB (0.42) POLBP2RX7ALDH1A1KMT2AKDM4E
SCHEMBL1590464 0.88 KCNQ2 (0.48) POLBTP53P2RX7ALDH1A1
SCHEMBL1591011 0.88 P2RX7 (0.40) POLBTP53P2RX7ALDH1A1RXFP1
SCHEMBL1589954 0.88 P2RX7 (0.45) PARP14POLBTP53P2RX7ALDH1A1
SCHEMBL1590339 0.87 P2RX7 (0.45) POLBTP53P2RX7ALDH1A1RXFP1
SCHEMBL1591010 0.87 POLB (0.41) POLBTP53P2RX7ALDH1A1RXFP1
SCHEMBL1590686 0.86 POLB (0.41) POLBTP53P2RX7RXFP1KMT2A
SCHEMBL1590910 0.84 KMT2A (0.43) POLBTP53P2RX7ALDH1A1RXFP1
SCHEMBL1590633 0.84 POLB (0.41) POLBTP53P2RX7ALDH1A1KDM4E
SCHEMBL1591499 0.83 KMT2A (0.48) POLBP2RX7ALDH1A1KMT2AKDM4E

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 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.