SCHEMBL5962999

SCHEMBL5962999

NC(=O)c1ccn(-c2ccc(Oc3ccccc3)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.51
PARP10 Q53GL7 2/20 0.50
SCN4A P35499 1/20 0.48
APP P05067 1/20 0.41
CYP2C9 P11712 1/20 0.41
CTNNB1 P35222 1/20 0.41
MGLL Q99685 1/20 0.41
BTK Q06187 1/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
PARP15 Q460N3 1/20 0.40
PARP14 Q460N5 1/20 0.40
PARP16 Q8N5Y8 1/20 0.40
PARP11 Q9NR21 1/20 0.40
PARP4 Q9UKK3 1/20 0.40
BCL2 P10415 2/20 0.39
MDM2 Q00987 2/20 0.39
MCL1 Q07820 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL5962907 0.87 SCN4A (0.49) SCN9ASCN4AKMT2A
SCHEMBL725497 0.86 CYP2C9 (0.53) SCN9ACYP2C9GAAALDH1A1KMT2A
SCHEMBL6531865 0.83 SCN9A (0.51) SCN9ACYP2C9GAAALDH1A1KMT2A
SCHEMBL28088814 0.82 ALDH1A1 (0.51) SCN9APARP10GAAALDH1A1KMT2A
SCHEMBL5962973 0.80 NPC1 (0.50) SCN9AAPPGAAALDH1A1KMT2A
SCHEMBL168402 0.76 KMT2A (0.54) SCN9AMGLLALDH1A1KMT2A
SCHEMBL30078274 0.76 ALDH1A1 (0.50) SCN9AALDH1A1KMT2ASMN1; SMN2
SCHEMBL5963146 0.75 SCN9A (0.57) SCN9ASCN4A
SCHEMBL14247709 0.74 SCN9A (0.42) SCN9ACYP2C9ALDH1A1SMN1; SMN2
SCHEMBL30231293 0.74 PARP10 (0.45) SCN9APARP10SCN4ACTNNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1292577-B1 ARYL SUBSTITUTED PYRAZOLES, TRIAZOLES AND TETRAZOLES AS SODIUM CHANNEL BLOCKER EURO CELTIQUE SA (LU) 2012-10-24 EP claimed
CN-1321112-C Aryl substituted pyrazoles, triazoles and tetrazoles as sodium channel blocker EURO CELTIQUE SA (LU) 2007-06-13 CN claimed
EP-1292577-B1 ARYL SUBSTITUTED PYRAZOLES, TRIAZOLES AND TETRAZOLES AS SODIUM CHANNEL BLOCKER EURO CELTIQUE SA (LU) 2012-10-24 EP disclosed
EP-1292577-B1 ARYL SUBSTITUTED PYRAZOLES, TRIAZOLES AND TETRAZOLES AS SODIUM CHANNEL BLOCKER EURO CELTIQUE SA (LU) 2012-10-24 EP disclosed
CN-1321112-C Aryl substituted pyrazoles, triazoles and tetrazoles as sodium channel blocker EURO CELTIQUE SA (LU) 2007-06-13 CN disclosed
US-7078426-B2 Aryl substituted pyrazoles, triazoles, and tetrazoles, and the use thereof EURO-CELTIQUE S.A. (LU) 2006-07-18 US disclosed
US-6919363-B2 Aryl substituted pyrazoles, triazoles and tetrazoles, and the use thereof EURO-CELTIQUE S.A. (LU) 2005-07-19 US disclosed
US-20040002523-A1 Aryl substituted pyrazoles, triazoles and tetrazoles, and the use thereof EURO-CELTIQUE S.A. 2004-01-01 US disclosed
CN-1422257-A Aryl substituted pyrazoles, triazoles and tetrazoles as sodium channel blocker EURO CELTIQUE SA (LU) 2003-06-04 CN disclosed
EP-1292577-A2 ARYL SUBSTITUTED PYRAZOLES, TRIAZOLES AND TETRAZOLES AS SODIUM CHANNEL BLOCKER Euro-Celtique S.A. (LU) 2003-03-19 EP disclosed
US-20020006947-A1 Aryl substituted pyrazoles, triazoles, and tetrazoles, and the use thereof PURDUE PHARMA L.P. 2002-01-17 US disclosed
WO-2001072714-A2 ARYL SUBSTITUTED PYRAZOLES, TRIAZOLES AND TETRAZOLES AS SODIUM CHANNEL BLOCKER EURO-CELTIQUE S.A. (LU) 2001-10-04 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 (2 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-20040002523-A1 Aryl substituted pyrazoles, triazoles and tetrazoles, and the use thereof CACNA1I, GRIK5, SOD1 SCN9A 318/4885PARP10 4620/4885SCN4A 529/4885
US-20020006947-A1 Aryl substituted pyrazoles, triazoles, and tetrazoles, and the use thereof GRIK5, CACNA1I, SOD1 SCN9A 349/4885PARP10 4582/4885SCN4A 621/4885

“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.