SCHEMBL4385576

SCHEMBL4385576

Cc1ccncc1-n1ccc2c([N+](=O)[O-])cccc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
TDP1 Q9NUW8 3/20 0.43
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 3/20 0.40
HTT P42858 3/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
POLB P06746 3/20 0.38
RAB9A P51151 3/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 2/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.36
CCR6 P51684 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 1/20 0.36
CTSB P07858 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
SCHEMBL4380637 0.81 GAA (0.56) GAATDP1ALDH1A1SMN1; SMN2MAPT
SCHEMBL4383990 0.80 CYP1A2 (0.39) TDP1ALDH1A1MAPTHTTKMT2A
SCHEMBL13587821 0.78 GRM1 (0.33) TDP1ALDH1A1MAPTRAB9AKDM4E
SCHEMBL793030 0.75 CDC7 (0.39) TDP1ALDH1A1MAPTKMT2AMEN1
SCHEMBL4375882 0.75 GAA (0.51) GAATDP1ALDH1A1SMN1; SMN2MAPT
SCHEMBL4382752 0.74 GAA (0.51) GAATDP1ALDH1A1SMN1; SMN2MAPT
SCHEMBL4377170 0.71 GAA (0.53) GAATDP1ALDH1A1SMN1; SMN2MAPT
SCHEMBL3752114 0.70 GAA (1.00) GAATDP1ALDH1A1SMN1; SMN2MAPT
SCHEMBL29613215 0.70 GAA (1.00) GAATDP1ALDH1A1SMN1; SMN2MAPT
SCHEMBL4378468 0.69 GAA (0.53) GAATDP1ALDH1A1SMN1; SMN2MAPT

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
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
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.