SCHEMBL5962907

SCHEMBL5962907

NC(=O)c1ccn(-c2ccc(Oc3ccc(F)cc3)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 2/20 0.49
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SCN9A Q15858 16/20 0.45
FPR2 P25090 3/20 0.42

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
SCHEMBL168402 0.91 KMT2A (0.54) KMT2AKDM4EL3MBTL1SCN9A
SCHEMBL5962999 0.87 SCN9A (0.51) SCN4AKMT2ASCN9A
SCHEMBL30231293 0.81 PARP10 (0.45) SCN4ASCN9AFPR2
SCHEMBL28088814 0.81 ALDH1A1 (0.51) KMT2AL3MBTL1SCN9A
SCHEMBL5963146 0.79 SCN9A (0.57) SCN4ASCN9AFPR2
SCHEMBL15090773 0.77 SCN9A (0.46) KMT2AKDM4EL3MBTL1SCN9A
SCHEMBL14150735 0.77 KMT2A (0.64) KMT2AKDM4EL3MBTL1
SCHEMBL19778587 0.75 KMT2A (0.54) KMT2AKDM4EL3MBTL1
SCHEMBL30078274 0.75 ALDH1A1 (0.50) KMT2AKDM4EL3MBTL1SCN9A
SCHEMBL725497 0.75 CYP2C9 (0.53) KMT2AKDM4EL3MBTL1SCN9A

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 7 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 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
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 SCN4A 529/4885KMT2A 3581/4885KDM4E 3325/4885
US-20020006947-A1 Aryl substituted pyrazoles, triazoles, and tetrazoles, and the use thereof GRIK5, CACNA1I, SOD1 SCN4A 621/4885KMT2A 3602/4885KDM4E 3213/4885

“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.