SCHEMBL3366923

SCHEMBL3366923

N#CCCn1nccc1-c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 2/20 0.40
CYP1A2 P05177 4/20 0.39
HSD17B10 Q99714 3/20 0.39
CYP3A4 P08684 3/20 0.39
USP2 O75604 2/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
HIF1A Q16665 1/20 0.39
ALDH1A1 P00352 6/20 0.38
TSHR P16473 2/20 0.38
SCN9A Q15858 5/20 0.37
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 2/20 0.36
GAA P10253 1/20 0.36
MAOB P27338 3/20 0.36
CYP2D6 P10635 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL1386524 0.82 SCN4A (0.42) SCN4ACYP1A2CYP3A4ALDH1A1SCN9A
SCHEMBL104366 0.77 KDM5A (0.35) CYP1A2CYP3A4ALDH1A1KDM4EMEN1
SCHEMBL1384448 0.77 SCN4A (0.44) SCN4ASCN9AKDM4E
SCHEMBL5571293 0.76 SCN4A (0.41) SCN4ACYP1A2HSD17B10CYP3A4ALDH1A1
SCHEMBL3365074 0.75 SCN4A (0.43) SCN4ASCN9A
SCHEMBL3365189 0.75 PTGS1 (0.47) SCN4AALDH1A1SCN9AMEN1KMT2A
SCHEMBL3365019 0.74 NPC1 (0.51) HSD17B10ALDH1A1TSHRKDM4EKMT2A
SCHEMBL3367403 0.74 SCN9A (0.47) SCN4ACYP1A2CYP3A4SCN9ACYP2D6
SCHEMBL1386745 0.74 SCN4A (0.40) SCN4ACYP1A2CYP3A4SCN9ACYP2D6
SCHEMBL1386652 0.74 BACE1 (0.48) SCN4ASCN9A

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-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
EP-1173169-A4 ARYL SUBSTITUTED PYRAZOLES, IMIDAZOLES, OXAZOLES, THIAZOLES AND PYRROLES, AND THE USE THEREOF EURO CELTIQUE SA (LU) 2007-04-04 EP disclosed
US-6737418-B2 CENTRAL NERVOUS SYSTEM DISORDERS; ANTICONVULSANTS EURO-CELTIQUE S.A. (LU) 2004-05-18 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
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 (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-20030069292-A1 Aryl substituted pyrazoles, imidazoles, oxazoles, thiazoles and pyrroles, and the use thereof GRIK5, GRIN3A, GRIK3 SCN4A 598/4885CYP1A2 1244/4885HSD17B10 1610/4885

“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.