SCHEMBL4375882

SCHEMBL4375882

O=c1c2cccc([N+](=O)[O-])c2ccn1-c1cccnc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
NCOA1 Q15788 1/20 0.48
NCOA3 Q9Y6Q9 1/20 0.48
POLB P06746 3/20 0.48
TDP1 Q9NUW8 4/20 0.44
MAPT P10636 8/20 0.42
ALDH1A1 P00352 7/20 0.42
KDM4E B2RXH2 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 3/20 0.42
LMNA P02545 2/20 0.42
CASP6 P55212 2/20 0.42
RAB9A P51151 2/20 0.42
BRD4 O60885 1/20 0.42
CTSB P07858 1/20 0.42
HSP90AA1 P07900 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD2 P14416 1/20 0.42
ALOX12 P18054 1/20 0.42
ADRA2B P18089 1/20 0.42

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
SCHEMBL4380637 0.86 GAA (0.56) GAANCOA1NCOA3POLBTDP1
SCHEMBL4382752 0.82 GAA (0.51) GAANCOA1NCOA3POLBTDP1
SCHEMBL4375891 0.80 MAPT (0.39) GAATDP1MAPTALDH1A1KDM4E
SCHEMBL4385576 0.75 GAA (0.53) GAANCOA1NCOA3POLBTDP1
SCHEMBL27932601 0.72 TDP1 (0.62) GAANCOA1NCOA3POLBTDP1
SCHEMBL29508937 0.70 PDE10A (0.56) GAANCOA1NCOA3POLBTDP1
SCHEMBL251800 0.70 PDE10A (0.56) GAANCOA1NCOA3POLBTDP1
SCHEMBL4378468 0.70 GAA (0.53) GAANCOA1NCOA3POLBTDP1
SCHEMBL29613215 0.68 GAA (1.00) GAANCOA1NCOA3POLBTDP1
SCHEMBL3752114 0.68 GAA (1.00) GAANCOA1NCOA3POLBTDP1

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
US-20090298825-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof RENOVIS, INC. 2009-12-03 US disclosed
US-20090298825-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof RENOVIS, INC. 2009-12-03 US disclosed
EP-1996585-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2008-12-03 EP disclosed
WO-2007109154-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-20090298825-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX1 GAA 4090/4885NCOA1 1412/4885NCOA3 1245/4885

“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.