SCHEMBL3013189

SCHEMBL3013189

CC(=O)OCC(C(C)C)n1ccc2c([N+](=O)[O-])cccc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
TDP1 Q9NUW8 1/20 0.39
P2RX7 Q99572 1/20 0.38
ELANE P08246 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
NPC1 O15118 2/20 0.36
TLR9 Q9NR96 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
NR5A1 Q13285 1/20 0.35
ALDH1A1 P00352 5/20 0.34
FBP1 P09467 1/20 0.34
POLB P06746 2/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
GPR35 Q9HC97 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL3013185 1.00 GAA (0.49) GAATDP1P2RX7ELANEMEN1
SCHEMBL3013188 1.00 GAA (0.49) GAATDP1P2RX7ELANEMEN1
SCHEMBL8230278 0.90 GAA (0.52) GAATDP1ELANEMEN1KMT2A
SCHEMBL307057 0.89 GAA (0.51) GAATDP1P2RX7ELANEMEN1
SCHEMBL307058 0.89 GAA (0.51) GAATDP1P2RX7ELANEMEN1
SCHEMBL3001598 0.89 GAA (0.51) GAATDP1P2RX7ELANEMEN1
SCHEMBL1589958 0.85 GAA (0.47) GAATDP1ELANEMEN1KMT2A
SCHEMBL1589960 0.85 GAA (0.47) GAATDP1ELANEMEN1KMT2A
SCHEMBL1589955 0.85 GAA (0.47) GAATDP1ELANEMEN1KMT2A
SCHEMBL3001614 0.82 PARP1 (0.43) TDP1P2RX7ELANENPC1NR5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184802-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2010-07-22 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 (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-20100184802-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 GAA 4179/4885TDP1 2440/4885P2RX7 1/4885

“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.