SCHEMBL3365153

SCHEMBL3365153

Cn1cnc(-c2ccc(Oc3ccc(F)cc3F)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 2/20 0.52
AXL P30530 5/20 0.46
HSPB1 P04792 1/20 0.45
MET P08581 3/20 0.43
SCN9A Q15858 2/20 0.43
GCK P35557 1/20 0.43
TRPA1 O75762 5/20 0.41
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
CYP2E1 P05181 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL12427197 0.79 CYP2E1 (0.51) SCN4AAXLSCN9ACYP2E1CYP2A6
SCHEMBL1385419 0.77 SCN4A (0.50) SCN4AHSPB1SCN9ATRPA1
SCHEMBL3364741 0.75 SCN4A (0.47) SCN4AHSPB1SCN9ATRPA1HTR2A
SCHEMBL1385874 0.73 SCN4A (0.58) SCN4AHSPB1SCN9A
SCHEMBL6779530 0.73 SCN4A (0.52) SCN4AHSPB1SCN9ATRPA1HTR2A
SCHEMBL12427182 0.73 NPC1 (0.49) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL1387047 0.72 SCN4A (0.48) SCN4AHSPB1SCN9ATRPA1
Hydrochloric Acid SCHEMBL30939711 0.71 NPC1 (0.47) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL9339651 0.71 HSPB1 (0.58) SCN4AHSPB1TRPA1CYP2C9CYP2C19
SCHEMBL8298015 0.71 HSPB1 (0.58) SCN4AHSPB1TRPA1HTR2ASLC6A4

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 9 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
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 598/4885AXL 4300/4885HSPB1 1124/4885

“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.