SCHEMBL1590183

SCHEMBL1590183

CN(CCn1ccc2c([N+](=O)[O-])cccc2c1=O)C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
BRD4 O60885 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
AURKA O14965 1/20 0.38
RPS6KB1 P23443 1/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.37
TP53 P04637 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
NR1D1 P20393 2/20 0.36
PARP1 P09874 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
PABPC1 P11940 1/20 0.36
CCR6 P51684 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GRM2 Q14416 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
SCHEMBL12702881 0.88 GAA (0.47) GAABRD4MAPTLMNATP53
SCHEMBL1590531 0.83 PARP1 (0.55) BRD4MAPTPARP1ALDH1A1SMN1; SMN2
SCHEMBL307484 0.83 AURKA (0.33) BRD4AURKARPS6KB1MAPTLMNA
SCHEMBL1590181 0.82 GAA (0.50) GAAMAPTLMNATP53TDP1
SCHEMBL3743639 0.81 GAA (0.62) GAAMAPTLMNATDP1PARP1
SCHEMBL1591128 0.76 GAA (0.45) GAABRD4MAPTLMNATDP1
SCHEMBL307653 0.76 PARP1 (0.36) BRD4TP53PARP1POLBGRM2
SCHEMBL1590259 0.75 GAA (0.56) GAAMAPTLMNATP53TDP1
SCHEMBL12702854 0.75 GAA (0.67) GAATDP1ALDH1A1GRM2
SCHEMBL1590033 0.75 GAA (0.62) GAAMAPTLMNATP53TDP1

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 4 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
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-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 GAA 4179/4885BRD4 1111/4885SIGMAR1 681/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 GAA 4179/4885BRD4 1111/4885SIGMAR1 681/4885

“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.