SCHEMBL5963747

SCHEMBL5963747

Cc1ccnn1-c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
NPBWR1 P48145 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SCN4A P35499 3/20 0.44
MCHR1 Q99705 1/20 0.43
OXTR P30559 1/20 0.42
MAPT P10636 3/20 0.41
AXL P30530 2/20 0.39
MET P08581 1/20 0.39
ABHD16A O95870 1/20 0.39
TP53 P04637 1/20 0.38
LMNA P02545 1/20 0.38
SCN9A Q15858 1/20 0.37
SRC P12931 1/20 0.36
BRAF P15056 1/20 0.36
KDR P35968 1/20 0.36
CYP2C9 P11712 1/20 0.36
GAA P10253 1/20 0.36
AR P10275 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL15779574 0.89 OXTR (0.48) ALDH1A1OXTRABHD16ALMNASRC
SCHEMBL3244643 0.79 CYP2C9 (0.52) ALDH1A1NPBWR1NPSR1MCHR1MAPT
SCHEMBL31466259 0.77 NPBWR1 (0.49) ALDH1A1NPBWR1MCHR1MAPTGAA
SCHEMBL23130273 0.74 CYP2C9 (0.49) ALDH1A1NPSR1MAPTTP53LMNA
SCHEMBL15299343 0.71 NPC1 (0.41) ALDH1A1NPBWR1NPSR1MAPTLMNA
SCHEMBL12988815 0.71 CYP2C9 (0.46) ALDH1A1NPBWR1NPSR1MAPTTP53
SCHEMBL18725081 0.71 KDM5A (0.37) ALDH1A1NPSR1OXTRMAPTLMNA
SCHEMBL19453172 0.71 OXTR (0.48) ALDH1A1NPBWR1OXTRMAPTLMNA
SCHEMBL31466271 0.70 OXTR (0.44) NPBWR1MCHR1OXTRMAPTSRC
SCHEMBL255499 0.70 POLB (0.57) ALDH1A1NPSR1MAPTLMNACYP2C9

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 ALDH1A1 413/4885NPBWR1 2533/4885NPSR1 632/4885
US-20020006947-A1 Aryl substituted pyrazoles, triazoles, and tetrazoles, and the use thereof GRIK5, CACNA1I, SOD1 ALDH1A1 431/4885NPBWR1 2672/4885NPSR1 729/4885

“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.