SCHEMBL4628701

SCHEMBL4628701

NC(=Nc1cccc2ccccc12)NC(=O)c1cccs1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 2/20 0.60
KMT2A Q03164 5/20 0.51
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
MEN1 O00255 4/20 0.51
SIGMAR1 Q99720 3/20 0.50
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
SCN5A Q14524 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPT P10636 4/20 0.46
THRB P10828 1/20 0.46
ALDH1A1 P00352 2/20 0.44

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
SCHEMBL27689880 0.76 SCN2A (0.67) SCN2ANPC1RAB9ASIGMAR1GRIN2D
SCHEMBL4629286 0.75 SCN2A (1.00) SCN2AKMT2ANPC1RAB9AMEN1
SCHEMBL4628973 0.75 SCN2A (0.77) SCN2AKMT2ANPC1RAB9AMEN1
SCHEMBL4627486 0.74 SCN2A (0.60) SCN2AKMT2ANPC1RAB9AMEN1
SCHEMBL7427722 0.74 SIGMAR1 (0.64) SCN2ASIGMAR1GRIN2DGRIN3BGRIN1
Guanidine SCHEMBL27709676 0.74 SCN2A (0.64) SCN2ANPC1RAB9ASIGMAR1GRIN2D
SCHEMBL4628426 0.72 SCN2A (0.68) SCN2AKMT2ANPC1RAB9AMEN1
SCHEMBL4657604 0.72 SCN2A (0.65) SCN2AKMT2ANPC1RAB9AMEN1
SCHEMBL4627507 0.72 SCN2A (0.57) SCN2AKMT2ANPC1RAB9AMEN1
SCHEMBL4628696 0.71 MEN1 (0.53) KMT2ANPC1RAB9AMEN1CYP1A2

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 1613/4885KMT2A 3245/4885NPC1 140/4885

“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.