SCHEMBL5962973

SCHEMBL5962973

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

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 2/20 0.48
HPGD P15428 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
BCL2 P10415 1/20 0.46
MDM2 Q00987 1/20 0.46
MCL1 Q07820 1/20 0.46
SCN9A Q15858 1/20 0.46
APP P05067 1/20 0.46
GABRA2 P47869 2/20 0.45
GABRB2 P47870 2/20 0.45
ALDH1A1 P00352 1/20 0.45
GLA P06280 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL9681520 0.89 NPC1 (0.58) NPC1RAB9AKDM4EMAPTHPGD
SCHEMBL15169106 0.85 ALDH1A1 (0.47) NPC1RAB9AKDM4EMAPTALDH1A1
SCHEMBL19834496 0.82 ACACA (0.48) MAPTTHRBKMT2A
SCHEMBL509170 0.82 MAPT (0.47) NPC1RAB9AKDM4EMAPTHPGD
SCHEMBL15754826 0.81 NPC1 (0.60) NPC1RAB9AKDM4EMAPTHPGD
SCHEMBL14710238 0.81 CA12 (0.48) NPC1RAB9AKDM4EMAPTHPGD
SCHEMBL19834374 0.81 NPC1 (0.46) NPC1RAB9AKDM4EMAPTHPGD
SCHEMBL15754911 0.81 NPC1 (0.60) NPC1RAB9AKDM4EMAPTHPGD
SCHEMBL14152567 0.81 NPC1 (0.43) NPC1RAB9AKDM4EMAPTHPGD
SCHEMBL12571512 0.80 MAPK1 (0.50) NPC1RAB9AKDM4EMAPTHPGD

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-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 NPC1 2494/4885RAB9A 3481/4885KDM4E 3325/4885
US-20020006947-A1 Aryl substituted pyrazoles, triazoles, and tetrazoles, and the use thereof GRIK5, CACNA1I, SOD1 NPC1 2641/4885RAB9A 3365/4885KDM4E 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.