SCHEMBL4382672

SCHEMBL4382672

Nc1cccc2c(=O)n(-c3cc[nH]n3)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.41
TDP1 Q9NUW8 2/20 0.41
RECQL P46063 1/20 0.41
ALDH1A1 P00352 3/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TYMS P04818 1/20 0.34
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
NR4A2 P43354 1/20 0.32
MEN1 O00255 2/20 0.31
USP2 O75604 2/20 0.31
KMT2A Q03164 2/20 0.31
ATM Q13315 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
MAPT P10636 3/20 0.31
TTR P02766 1/20 0.31

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
SCHEMBL30822664 0.83 CYP1A2 (0.37) PARP1ALDH1A1CYP3A4HPGDTYMS
SCHEMBL30822643 0.78 GAA (0.38) PARP1ALDH1A1HSD17B10KMT2AKDM4E
SCHEMBL4382639 0.77 PARP1 (0.41) PARP1TDP1RECQLHSD17B10KDM4E
SCHEMBL2189436 0.68 MMP8 (0.34) RECQLALDH1A1HPGDMAPTKDM4E
SCHEMBL30822716 0.68 RAB9A (0.52) HPGDHSD17B10MEN1KMT2AKDM4E
SCHEMBL4383803 0.68 PARP1 (0.40) PARP1TDP1RECQLALDH1A1CYP3A4
SCHEMBL30822724 0.68 CYP1A2 (0.35) PARP1ALDH1A1HPGDHSD17B10MEN1
SCHEMBL30822734 0.68 TYMS (0.35) PARP1TYMSMAPTIDO1TDO2
SCHEMBL30822732 0.68 PARP1 (0.33) PARP1MAPT
SCHEMBL30822685 0.68 CHEK1 (0.39) HSD17B10TYMSKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298825-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof RENOVIS, INC. 2009-12-03 US disclosed
US-20090298825-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof RENOVIS, INC. 2009-12-03 US disclosed
US-20090298825-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof RENOVIS, INC. 2009-12-03 US disclosed
EP-1996585-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2008-12-03 EP disclosed
WO-2007109154-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 WO 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 (1 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-20090298825-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX1 PARP1 1868/4885TDP1 2273/4885RECQL 2024/4885

“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.