SCHEMBL3744328

SCHEMBL3744328

O=c1c2cccc([N+](=O)[O-])c2ccn1Cc1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
GAA P10253 1/20 0.51
ALDH1A1 P00352 2/20 0.50
RAB9A P51151 3/20 0.48
CTSB P07858 1/20 0.47
NCOA1 Q15788 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
POLB P06746 2/20 0.45
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 3/20 0.43
MEN1 O00255 1/20 0.43
S1PR4 O95977 1/20 0.43
HPGD P15428 1/20 0.43
XBP1 P17861 1/20 0.43
S1PR1 P21453 1/20 0.43
CCR6 P51684 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.42
LMNA P02545 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
SCHEMBL13075738 0.83 ALDH1A1 (0.55) KDM4EALDH1A1RAB9ACTSBPOLB
SCHEMBL4145238 0.81 GAA (0.57) KDM4EGAAALDH1A1POLBTDP1
SCHEMBL3742531 0.81 KDM4E (0.55) KDM4EALDH1A1MEN1HPGDKMT2A
SCHEMBL13078856 0.78 KDM4E (0.52) KDM4EGAAALDH1A1MEN1HPGD
SCHEMBL9395019 0.76 GAA (0.66) GAAALDH1A1RAB9ANCOA1NCOA3
SCHEMBL1896629 0.75 GAA (0.53) KDM4EGAAALDH1A1TDP1MEN1
SCHEMBL12702854 0.74 GAA (0.67) GAAALDH1A1TDP1
SCHEMBL1590033 0.74 GAA (0.62) GAAALDH1A1RAB9ACTSBNCOA1
SCHEMBL3743685 0.74 GAA (0.46) KDM4EGAARAB9ANCOA1NCOA3
SCHEMBL1590530 0.72 GAA (0.56) KDM4EGAAALDH1A1RAB9ACTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2001474-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-03-09 EP disclosed
EP-2001474-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-03-09 EP disclosed
US-8546579-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2013-10-01 US disclosed
US-8546579-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2013-10-01 US disclosed
US-8546579-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2013-10-01 US disclosed
US-20100292235-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof SECOND GENOME, INC. 2010-11-18 US disclosed
US-20100292235-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof SECOND GENOME, INC. 2010-11-18 US disclosed
EP-2001474-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2008-12-17 EP disclosed
WO-2007109172-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 WO disclosed
WO-2007109172-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-20100292235-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 KDM4E 4128/4885GAA 4179/4885ALDH1A1 3640/4885

“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.