SCHEMBL1896629

SCHEMBL1896629

O=c1c2cccc([N+](=O)[O-])c2ccn1Cc1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
RECQL P46063 1/20 0.52
ALDH1A1 P00352 6/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
HTT P42858 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAPT P10636 3/20 0.47
THRB P10828 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
SOS1 Q07889 1/20 0.45
LMNA P02545 5/20 0.44
MEN1 O00255 1/20 0.44
HSP90AA1 P07900 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
TP53 P04637 1/20 0.41
FSCN1 Q16658 1/20 0.41
DHPS P49366 1/20 0.41

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
SCHEMBL4145238 0.88 GAA (0.57) GAARECQLALDH1A1SMN1; SMN2HTT
SCHEMBL8082865 0.84 ALDH1A1 (0.70) RECQLALDH1A1SMN1; SMN2HTTL3MBTL1
SCHEMBL1897110 0.81 PARP1 (0.56) GAAALDH1A1SMN1; SMN2HTTL3MBTL1
SCHEMBL3743685 0.80 GAA (0.46) GAARECQLSMN1; SMN2HTTL3MBTL1
SCHEMBL12668470 0.79 MAPT (0.51) GAAALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL1893762 0.79 MAPT (0.51) GAAALDH1A1SMN1; SMN2HTTL3MBTL1
SCHEMBL9395019 0.78 GAA (0.66) GAARECQLALDH1A1SMN1; SMN2MAPT
SCHEMBL1896463 0.78 MAPT (0.48) GAARECQLALDH1A1SMN1; SMN2HTT
SCHEMBL1590033 0.76 GAA (0.62) GAARECQLALDH1A1SMN1; SMN2HTT
SCHEMBL12702854 0.76 GAA (0.67) GAAALDH1A1TDP1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937643-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-07-13 EP disclosed
EP-1937643-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-07-13 EP disclosed
US-8779144-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2014-07-15 US disclosed
US-8779144-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2014-07-15 US disclosed
US-8779144-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2014-07-15 US disclosed
US-20110118287-A1 Bicycloheteroaryl Compounds As P2X7 Modulators and Uses Thereof RENOVIS, INC. (US) 2011-05-19 US disclosed
US-20110118287-A1 Bicycloheteroaryl Compounds As P2X7 Modulators and Uses Thereof RENOVIS, INC. (US) 2011-05-19 US disclosed
US-20110118287-A1 Bicycloheteroaryl Compounds As P2X7 Modulators and Uses Thereof RENOVIS, INC. (US) 2011-05-19 US disclosed
EP-1937643-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2008-07-02 EP disclosed
WO-2007109160-A9 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS INC (US) 2007-11-15 WO disclosed
WO-2007109160-A9 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS INC (US) 2007-11-15 WO disclosed
WO-2007109160-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 WO disclosed
WO-2007109160-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-20110118287-A1 Bicycloheteroaryl Compounds As P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX1 GAA 4075/4885RECQL 1887/4885ALDH1A1 3160/4885

“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.