SCHEMBL4378468

SCHEMBL4378468

O=c1c2cccc([N+](=O)[O-])c2ccn1-c1cc[nH]n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
TDP1 Q9NUW8 3/20 0.46
ALDH1A1 P00352 5/20 0.46
KMT2A Q03164 6/20 0.38
MEN1 O00255 3/20 0.38
NOS1 P29475 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
NOS2 P35228 1/20 0.38
BLM P54132 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
POLB P06746 3/20 0.38

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
SCHEMBL4377170 0.79 GAA (0.53) GAATDP1ALDH1A1KMT2AMEN1
SCHEMBL30822664 0.79 CYP1A2 (0.37) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL4382672 0.79 PARP1 (0.41) GAATDP1ALDH1A1KMT2AMEN1
SCHEMBL30822643 0.74 GAA (0.38) GAAALDH1A1KMT2AKDM4EMAPK1
SCHEMBL4380637 0.71 GAA (0.56) GAATDP1ALDH1A1KMT2AMEN1
SCHEMBL29613215 0.70 GAA (1.00) GAATDP1ALDH1A1KMT2AMEN1
SCHEMBL7472269 0.70 GAA (0.67) GAATDP1ALDH1A1KMT2AMEN1
SCHEMBL3752114 0.70 GAA (1.00) GAATDP1ALDH1A1KMT2AMEN1
SCHEMBL4375882 0.70 GAA (0.51) GAATDP1ALDH1A1KMT2AMEN1
SCHEMBL4382752 0.70 GAA (0.51) GAATDP1ALDH1A1KMT2AMEN1

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 4090/4885TDP1 2273/4885ALDH1A1 3109/4885

“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.