SCHEMBL307484

SCHEMBL307484

Cc1ccc2c(=O)n(CCN(C)C(=O)OC(C)(C)C)ccc2c1[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.33
RPS6KB1 P23443 1/20 0.33
BRD4 O60885 1/20 0.32
TP53 P04637 2/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GBA1 P04062 1/20 0.31
TSHR P16473 1/20 0.31
POLB P06746 1/20 0.31
NR5A1 Q13285 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL307763 0.85 ALDH1A1 (0.38) TP53LMNAALDH1A1TSHRPOLB
SCHEMBL307653 0.83 PARP1 (0.36) BRD4TP53GBA1POLB
SCHEMBL1590183 0.83 GAA (0.49) AURKARPS6KB1BRD4TP53LMNA
SCHEMBL17690513 0.82 BRD4 (0.37) BRD4TP53LMNAALDH1A1POLB
SCHEMBL1590531 0.76 PARP1 (0.55) BRD4ALDH1A1GBA1TSHRPOLB
SCHEMBL27776457 0.75 GLA (0.42) TP53LMNAALDH1A1TSHRPOLB
SCHEMBL27776459 0.74 LMNA (0.41) TP53LMNAALDH1A1TSHRPOLB
SCHEMBL12702881 0.71 GAA (0.47) BRD4TP53LMNAALDH1A1POLB
SCHEMBL17690514 0.70 P2RX7 (0.60)
SCHEMBL10255904 0.68 LMNA (0.43) AURKARPS6KB1LMNAALDH1A1POLB

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
EP-2124562-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-04-20 EP disclosed
US-8093265-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2012-01-10 US disclosed
EP-2124562-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2009-12-02 EP disclosed
US-20080287415-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2008-11-20 US disclosed
WO-2008112205-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2008-09-18 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-20080287415-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 AURKA 4017/4885RPS6KB1 753/4885BRD4 1201/4885

“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.