SCHEMBL1590518

SCHEMBL1590518

Nc1cccc2c(=O)n(C(CO)CO)ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.50
P2RX7 Q99572 6/20 0.47
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP3A4 P08684 2/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TTR P02766 1/20 0.37
RECQL P46063 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
TDP2 O95551 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
BLM P54132 1/20 0.37
CASP6 P55212 1/20 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
SCHEMBL13243839 0.85 P2RX7 (0.49) PARP1P2RX7ALDH1A1TDP1CYP3A4
SCHEMBL8229899 0.85 P2RX7 (0.49) PARP1P2RX7ALDH1A1TDP1CYP3A4
SCHEMBL3589094 0.85 P2RX7 (0.49) PARP1P2RX7ALDH1A1TDP1CYP3A4
SCHEMBL12668521 0.84 PARP1 (0.47) PARP1P2RX7ALDH1A1TDP1CYP3A4
SCHEMBL1590031 0.82 PARP1 (0.49) PARP1P2RX7ALDH1A1TDP1CYP3A4
SCHEMBL1590026 0.82 PARP1 (0.49) PARP1P2RX7ALDH1A1TDP1CYP3A4
SCHEMBL8231616 0.79 PARP1 (0.46) PARP1P2RX7ALDH1A1TDP1CYP3A4
SCHEMBL30349861 0.79 PARP1 (0.47) PARP1ALDH1A1TDP1CYP3A4HPGD
SCHEMBL1896358 0.79 PARP1 (0.47) PARP1ALDH1A1TDP1CYP3A4HPGD
SCHEMBL12702858 0.79 PARP1 (0.42) PARP1P2RX7ALDH1A1TDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1933622-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-03-09 EP disclosed
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-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-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 US disclosed
EP-1933622-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2008-06-25 EP disclosed
WO-2007109192-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 WO disclosed
WO-2007109192-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 WO 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
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 PARP1 1754/4885P2RX7 1/4885ALDH1A1 3640/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 PARP1 1754/4885P2RX7 1/4885ALDH1A1 3640/4885

“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.