SCHEMBL3365086

SCHEMBL3365086

NC(=O)n1ccc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 6/20 1.00
SCN9A Q15858 2/20 0.54
MCL1 Q07820 1/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MYOC Q99972 1/20 0.45
CHEK2 O96017 1/20 0.44
SRD5A2 P31213 1/20 0.44
HSPB1 P04792 1/20 0.43
POLB P06746 1/20 0.42
CASP1 P29466 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BTK Q06187 1/20 0.41
KDM4E B2RXH2 1/20 0.41
F13A1 P00488 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
SCHEMBL1384489 0.87 SCN4A (0.77) SCN4AMCL1MEN1KMT2AMAPT
SCHEMBL13168517 0.85 SCN4A (0.74) SCN4ASCN9AMCL1MEN1KMT2A
SCHEMBL1384820 0.82 SCN4A (1.00) SCN4ASCN9AMCL1NPC1RAB9A
SCHEMBL3367406 0.82 SCN4A (0.79) SCN4ASCN9AKMT2AMAPTCHEK2
SCHEMBL3370880 0.82 SCN4A (0.69) SCN4ASCN9AMAPT
SCHEMBL3367212 0.81 SCN4A (0.77) SCN4ASCN9AMCL1MEN1KMT2A
SCHEMBL1384902 0.81 SCN4A (1.00) SCN4ASCN9A
SCHEMBL13168520 0.81 SCN4A (0.77) SCN4ASCN9AMCL1KMT2A
SCHEMBL13186012 0.81 SCN4A (0.77) SCN4ASCN9AKMT2ACHEK2
SCHEMBL18127956 0.79 SCN4A (0.65) SCN4ASCN9AMEN1KMT2AMAPT

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266960-A2 Aryl-substituted pyrazoles, imidazoles, oxazoles, thiazoles and pyrroles as anticonvulsants EURO-CELTIQUE S.A. (LU) 2010-12-29 EP claimed
EP-1173169-B1 ARYL SUBSTITUTED PYRAZOLES, IMIDAZOLES, OXAZOLES, THIAZOLES AND PYRROLES, AND THE USE THEREOF EURO CELTIQUE SA (LU) 2010-05-12 EP claimed
US-20030069292-A1 Aryl substituted pyrazoles, imidazoles, oxazoles, thiazoles and pyrroles, and the use thereof EURO-CELTIQUE S.A. 2003-04-10 US claimed
US-6414011-B1 CENTRAL NERVOUS SYSTEM DISORDERS EURO-CELTIQUE S.A. (LU) 2002-07-02 US claimed
CN-1353605-A Aryl substituted pyrazoles, imidazoles, oxazoles, thiazoles and pyrroles, and use thereof EURO CELTIQUE SA (LU) 2002-06-12 CN claimed
EP-2266960-B1 Aryl-substituted pyrazoles, imidazoles, oxazoles, thiazoles and pyrroles as anticonvulsants EURO CELTIQUE SA (LU) 2014-01-22 EP disclosed
EP-2266960-A2 Aryl-substituted pyrazoles, imidazoles, oxazoles, thiazoles and pyrroles as anticonvulsants EURO-CELTIQUE S.A. (LU) 2010-12-29 EP disclosed
EP-1173169-B1 ARYL SUBSTITUTED PYRAZOLES, IMIDAZOLES, OXAZOLES, THIAZOLES AND PYRROLES, AND THE USE THEREOF EURO CELTIQUE SA (LU) 2010-05-12 EP disclosed
US-20080318932-A1 Sodium Channel Blocker Compositions and the Use Thereof PURDUE PHARMA L.P. (US) 2008-12-25 US disclosed
US-7393872-B2 Sodium channel blocker compositions and the use thereof EURO-CELTIQUE S.A. (LU) 2008-07-01 US disclosed
EP-1173169-A4 ARYL SUBSTITUTED PYRAZOLES, IMIDAZOLES, OXAZOLES, THIAZOLES AND PYRROLES, AND THE USE THEREOF EURO CELTIQUE SA (LU) 2007-04-04 EP disclosed
EP-1169060-B1 SODIUM CHANNEL BLOCKER COMPOSITIONS AND THE USE THEREOF EURO CELTIQUE SA (LU) 2005-08-31 EP disclosed
US-20040054005-A1 Sodium channel blocker compositions and the use thereof PURDUE PHARMA L.P. 2004-03-18 US disclosed
US-20030069292-A1 Aryl substituted pyrazoles, imidazoles, oxazoles, thiazoles and pyrroles, and the use thereof EURO-CELTIQUE S.A. 2003-04-10 US disclosed
US-6414011-B1 CENTRAL NERVOUS SYSTEM DISORDERS EURO-CELTIQUE S.A. (LU) 2002-07-02 US disclosed
CN-1353605-A Aryl substituted pyrazoles, imidazoles, oxazoles, thiazoles and pyrroles, and use thereof EURO CELTIQUE SA (LU) 2002-06-12 CN disclosed
US-20020037926-A1 Sodium channel blocker compositions and the use thereof PURDUE PHARMA LTD. 2002-03-28 US disclosed
WO-2000061188-A9 SODIUM CHANNEL BLOCKER COMPOSITIONS AND THE USE THEREOF EURO CELTIQUE SA (LU) 2002-02-14 WO disclosed
EP-1173169-A1 ARYL SUBSTITUTED PYRAZOLES, IMIDAZOLES, OXAZOLES, THIAZOLES AND PYRROLES, AND THE USE THEREOF Euro-Celtique S.A. (LU) 2002-01-23 EP disclosed
WO-2000057877-A1 ARYL SUBSTITUTED PYRAZOLES, IMIDAZOLES, OXAZOLES, THIAZOLES AND PYRROLES, AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2000-10-05 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 (4 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-20040054005-A1 Sodium channel blocker compositions and the use thereof CACNA1B, CACNB2, CACNA1C SCN4A 27/4885SCN9A 41/4885MCL1 4323/4885
US-20080318932-A1 Sodium Channel Blocker Compositions and the Use Thereof CACNA1B, CACNB2, CACNA1C SCN4A 27/4885SCN9A 41/4885MCL1 4323/4885
US-20020037926-A1 Sodium channel blocker compositions and the use thereof CACNA1B, CACNB2, CACNA1C SCN4A 27/4885SCN9A 41/4885MCL1 4323/4885
US-20030069292-A1 Aryl substituted pyrazoles, imidazoles, oxazoles, thiazoles and pyrroles, and the use thereof GRIK5, GRIN3A, GRIK3 SCN4A 598/4885SCN9A 671/4885MCL1 4182/4885

“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.