SCHEMBL4629007

SCHEMBL4629007

COc1ccc(C(=O)NC(N)=NCc2cccc3ccccc23)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 4/20 0.77
SCN5A Q14524 2/20 0.77
BACE1 P56817 5/20 0.67
HTR7 P34969 1/20 0.54
KMT2A Q03164 2/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
POLB P06746 2/20 0.48
KDM4E B2RXH2 1/20 0.48
PARP10 Q53GL7 1/20 0.47
PTPN1 P18031 1/20 0.47
MALT1 Q9UDY8 1/20 0.46
NQO2 P16083 1/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46

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
SCHEMBL4629295 0.89 SCN2A (0.74) SCN2ASCN5ABACE1HTR7KMT2A
SCHEMBL4628404 0.87 SCN2A (1.00) SCN2ASCN5ABACE1HTR7L3MBTL1
SCHEMBL4628794 0.83 SCN2A (0.74) SCN2ASCN5ABACE1KMT2ANPC1
SCHEMBL6702037 0.79 SCN2A (0.69) SCN2ASCN5ABACE1HTR7KMT2A
SCHEMBL4629004 0.77 NPC1 (0.55) KMT2ANPC1RAB9AL3MBTL1MAPT
SCHEMBL4628697 0.74 SCN2A (0.84) SCN2ASCN5ANPC1RAB9AMAPT
SCHEMBL4627561 0.73 SCN2A (0.80) SCN2ASCN5AKMT2ANPC1RAB9A
SCHEMBL17583595 0.72 L3MBTL1 (0.70) KMT2ANPC1RAB9AL3MBTL1MAPT
SCHEMBL4628536 0.72 MALT1 (0.57) SCN2ASCN5ABACE1MALT1
SCHEMBL4629480 0.72 SCN2A (0.80) SCN2ASCN5AKMT2ARAB9AMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1032556-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE WYETH CORP (US) 2007-12-19 EP claimed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 US claimed
EP-1918272-A1 Pharmaceutically active compounds and methods of use Wyeth a Corporation of the State of Delaware (US) 2008-05-07 EP disclosed
EP-1032556-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE WYETH CORP (US) 2007-12-19 EP disclosed
US-20060270741-A1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-11-30 US disclosed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 US 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-20060270741-A1 Pharmaceutically active compounds and methods of use GBA1, CTSA, GAA SCN2A 1613/4885SCN5A 1196/4885BACE1 52/4885

“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.