SCHEMBL5962918

SCHEMBL5962918

Fc1ccc(Oc2ccc(-n3cccn3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.55
MAPK1 P28482 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
SCN4A P35499 2/20 0.42
MAPT P10636 3/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 1/20 0.41
GLA P06280 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ICAM1 P05362 1/20 0.40
SELE P16581 1/20 0.40
VCAM1 P19320 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA10 Q9GZZ6 1/20 0.40
CHRNA9 Q9UGM1 1/20 0.40
MMP13 P45452 1/20 0.40

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
SCHEMBL173885 0.89 NOTUM (0.67) NOTUMMAPK1ALDH1A1KDM4EMAPT
SCHEMBL7008972 0.87 NOTUM (0.56) NOTUMMAPK1ALDH1A1KDM4ENPC1
Hydrochloric Acid SCHEMBL7809916 0.87 NOTUM (0.64) NOTUMMAPK1ALDH1A1KDM4EMAPT
SCHEMBL14541930 0.84 NOTUM (0.53) NOTUMMAPK1ALDH1A1KDM4EMAPT
SCHEMBL4341894 0.80 NOTUM (0.78) NOTUMMAPK1ALDH1A1KDM4EMAPT
SCHEMBL7657790 0.79 NOTUM (0.51) NOTUMMAPK1ALDH1A1KDM4EMAPT
SCHEMBL598119 0.78 NOTUM (0.58) NOTUMMAPK1ALDH1A1KDM4EMAPT
SCHEMBL22686997 0.78 HSPB1 (0.52) ALDH1A1MAPTHTTNPSR1L3MBTL1
SCHEMBL16556797 0.77 NOTUM (0.53) NOTUMMAPK1ALDH1A1KDM4EMAPT
Hydrochloric Acid SCHEMBL7657795 0.77 MAPT (0.47) NOTUMMAPK1ALDH1A1KDM4EMAPT

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 NOTUM 3378/4885MAPK1 2014/4885ALDH1A1 413/4885
US-20020006947-A1 Aryl substituted pyrazoles, triazoles, and tetrazoles, and the use thereof GRIK5, CACNA1I, SOD1 NOTUM 3382/4885MAPK1 1763/4885ALDH1A1 431/4885

“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.