SCHEMBL306711

SCHEMBL306711

Cc1ccc2c(=O)n(C3CCN(C(=O)OC(C)(C)C)C3)ccc2c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 5/20 0.39
EGFR P00533 3/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
NR1D1 P20393 2/20 0.38
USP30 Q70CQ3 2/20 0.38
PIK3CA P42336 1/20 0.38
HCAR1 Q9BXC0 1/20 0.37
TP53 P04637 1/20 0.37
GPR119 Q8TDV5 2/20 0.36
KDM4E B2RXH2 1/20 0.36
THRB P10828 1/20 0.36
ABL1 P00519 2/20 0.36
ABL2 P42684 2/20 0.36
CTSD P07339 1/20 0.36
CTSE P14091 1/20 0.36
BACE1 P56817 1/20 0.36
MDM2 Q00987 1/20 0.36
PRKCG P05129 1/20 0.35

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
SCHEMBL306712 1.00 SRC (0.39) SRCEGFRMAPTALDH1A1LMNA
SCHEMBL308657 0.84 SRC (0.44) SRCEGFRUSP30PIK3CAHCAR1
SCHEMBL308658 0.84 SRC (0.44) SRCEGFRUSP30PIK3CAHCAR1
SCHEMBL4383955 0.78 GAA (0.46) MAPTALDH1A1LMNAHCAR1TP53
SCHEMBL19513997 0.77 KDM5A (0.52) SRCEGFRMAPTUSP30PIK3CA
SCHEMBL25151430 0.74 SRC (0.44) SRCEGFRUSP30PIK3CAHCAR1
SCHEMBL25150818 0.74 USP30 (0.44) SRCEGFRMAPTUSP30PIK3CA
SCHEMBL30398886 0.74 USP30 (0.44) SRCEGFRMAPTUSP30PIK3CA
SCHEMBL31735429 0.74 MAPT (0.47) SRCEGFRMAPTALDH1A1LMNA
SCHEMBL26099925 0.72 MAPT (0.47) MAPTALDH1A1LMNAHCAR1TP53

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 3 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
US-20080287415-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2008-11-20 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-20080287415-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 SRC 2112/4885EGFR 4690/4885MAPT 4416/4885

“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.