SCHEMBL4628764

SCHEMBL4628764

CCOc1ccc(C(=O)NC(N)=NCCc2ccccc2)cc1

nearest known ligand 0.85

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 16/20 0.85
SCN5A Q14524 14/20 0.85
MAPT P10636 2/20 0.60
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
ALOX12 P18054 1/20 0.55
CYP2C19 P33261 1/20 0.55
HTT P42858 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
PLK1 P53350 1/20 0.51

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
SCHEMBL4628970 0.93 SCN2A (0.94) SCN2ASCN5AMAPTNPC1RAB9A
SCHEMBL4628495 0.92 SCN5A (1.00) SCN2ASCN5AMAPTNPC1RAB9A
SCHEMBL4628959 0.91 SCN2A (0.88) SCN2ASCN5AMAPTNPC1RAB9A
SCHEMBL4627431 0.88 SCN5A (0.73) SCN2ASCN5AMAPTNPC1RAB9A
SCHEMBL4628697 0.88 SCN2A (0.84) SCN2ASCN5AMAPTNPC1RAB9A
SCHEMBL4629257 0.85 SCN2A (0.94) SCN2ASCN5AMAPTNPC1RAB9A
SCHEMBL4627417 0.84 SCN5A (1.00) SCN2ASCN5AMAPTNPC1RAB9A
SCHEMBL4629436 0.84 SCN2A (1.00) SCN2ASCN5ANPC1RAB9A
SCHEMBL4628737 0.83 SCN5A (0.98) SCN2ASCN5AMAPTNPC1RAB9A
SCHEMBL4629035 0.81 SCN2A (0.83) SCN2ASCN5ANPC1RAB9ASMN1; SMN2

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 1196/4885MAPT 705/4885

“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.