SCHEMBL1899104

SCHEMBL1899104

C[C@H](C(N)=O)n1ccc2c(I)cccc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.42
USP5 P45974 1/20 0.36
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 3/20 0.34
TSHR P16473 2/20 0.34
PSMB1 P20618 1/20 0.34
PSMB5 P28074 1/20 0.34
PARP1 P09874 1/20 0.33
EGFR P00533 1/20 0.33
SRC P12931 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL1897092 1.00 P2RX7 (0.42) P2RX7USP5LMNAHTTKDM4E
SCHEMBL1897096 1.00 P2RX7 (0.42) P2RX7USP5LMNAHTTKDM4E
SCHEMBL1590034 0.84 PARP1 (0.48) P2RX7USP5LMNAHTTKDM4E
SCHEMBL12668523 0.84 P2RX7 (0.45) P2RX7USP5LMNAHTTKDM4E
SCHEMBL1589819 0.84 PARP1 (0.48) P2RX7USP5LMNAHTTKDM4E
SCHEMBL1589818 0.84 PARP1 (0.48) P2RX7USP5LMNAHTTKDM4E
SCHEMBL12668525 0.84 P2RX7 (0.45) P2RX7USP5LMNAHTTKDM4E
SCHEMBL15869588 0.82 P2RX7 (0.41) P2RX7USP5LMNAHTTKDM4E
SCHEMBL5135477 0.82 P2RX7 (0.41) P2RX7USP5LMNAHTTKDM4E
SCHEMBL12725533 0.81 P2RX7 (0.41) P2RX7USP5LMNAHTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937643-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-07-13 EP disclosed
EP-1937643-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-07-13 EP disclosed
US-8779144-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2014-07-15 US disclosed
US-8779144-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2014-07-15 US disclosed
US-8779144-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2014-07-15 US disclosed
US-20110118287-A1 Bicycloheteroaryl Compounds As P2X7 Modulators and Uses Thereof RENOVIS, INC. (US) 2011-05-19 US disclosed
EP-1937643-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2008-07-02 EP disclosed
WO-2007109160-A9 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS INC (US) 2007-11-15 WO disclosed
WO-2007109160-A9 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS INC (US) 2007-11-15 WO disclosed
WO-2007109160-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 WO disclosed
WO-2007109160-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-20110118287-A1 Bicycloheteroaryl Compounds As P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX1 P2RX7 1/4885USP5 4794/4885LMNA 1549/4885

“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.