SCHEMBL3367401

SCHEMBL3367401

C[S+]([O-])c1cc(-c2ccc(Oc3ccccc3)cc2)nn1C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 3/20 0.52
MCL1 Q07820 6/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CHEK2 O96017 2/20 0.39
PARP10 Q53GL7 1/20 0.38
XDH P47989 1/20 0.38
MGLL Q99685 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SCN9A Q15858 1/20 0.38
DHODH Q02127 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL3367196 0.78 SCN4A (0.54) SCN4AMCL1CA1CA2CHEK2
SCHEMBL3366375 0.76 SCN4A (0.54) SCN4AMCL1CA1CA2CHEK2
SCHEMBL3366376 0.76 SCN4A (0.54) SCN4AMCL1CA1CA2CHEK2
SCHEMBL27560770 0.74 SCN4A (0.52) SCN4AMCL1CA1CA2CHEK2
SCHEMBL1384820 0.69 SCN4A (1.00) SCN4AMCL1CA1CA2PARP10
SCHEMBL3370342 0.68 KMT2A (0.45) SCN4AMCL1MGLLALDH1A1RAB9A
SCHEMBL11707533 0.65 RAB9A (0.61) MCL1ALDH1A1LMNANPC1RAB9A
SCHEMBL3365486 0.65 SMN1; SMN2 (0.42) SCN4AMCL1ALDH1A1LMNAHTT
SCHEMBL14190748 0.65 LMNA (0.53) SCN4AMCL1CHEK2PARP10LMNA
SCHEMBL7515512 0.64 LTA4H (0.47) SCN4AMCL1LMNAHTTNPC1

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 23 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-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
EP-1169060-A1 SODIUM CHANNEL BLOCKER COMPOSITIONS AND THE USE THEREOF Euro-Celtique S.A. (LU) 2002-01-09 EP disclosed
WO-2000061188-A1 SODIUM CHANNEL BLOCKER COMPOSITIONS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2000-10-19 WO 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 (3 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-20080318932-A1 Sodium Channel Blocker Compositions and the Use Thereof CACNA1B, CACNB2, CACNA1C SCN4A 27/4885MCL1 4323/4885CA1 480/4885
US-20020037926-A1 Sodium channel blocker compositions and the use thereof CACNA1B, CACNB2, CACNA1C SCN4A 27/4885MCL1 4323/4885CA1 480/4885
US-20030069292-A1 Aryl substituted pyrazoles, imidazoles, oxazoles, thiazoles and pyrroles, and the use thereof GRIK5, GRIN3A, GRIK3 SCN4A 598/4885MCL1 4182/4885CA1 2176/4885

“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.