SCHEMBL4628993

SCHEMBL4628993

NC(=NCCSCc1ccccc1)NC(=O)c1ccc(Cl)cc1

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 14/20 0.79
SCN5A Q14524 13/20 0.79
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
HDAC1 Q13547 1/20 0.48
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MALT1 Q9UDY8 1/20 0.47

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
SCHEMBL4627550 0.91 SCN2A (0.84) SCN2ASCN5AL3MBTL1CYP1A2LMNA
SCHEMBL4628364 0.88 SCN2A (1.00) SCN2ASCN5AALDH1A1LMNASMN1; SMN2
SCHEMBL4628453 0.87 SCN2A (0.71) SCN2ASCN5AALDH1A1LMNASMN1; SMN2
SCHEMBL4629035 0.84 SCN2A (0.83) SCN2ASCN5AKMT2AMEN1NPSR1
SCHEMBL4627554 0.81 SCN2A (0.75) SCN2ASCN5AKMT2AMEN1NPSR1
SCHEMBL4628688 0.81 SCN5A (1.00) SCN2ASCN5A
SCHEMBL4628434 0.78 SCN5A (0.68) SCN2ASCN5AKMT2AMEN1NPC1
SCHEMBL4629449 0.77 SCN5A (0.69) SCN2ASCN5AL3MBTL1ALDH1A1HPGD
SCHEMBL4628986 0.76 LMNA (0.63) KMT2AMEN1L3MBTL1NPC1HDAC1
SCHEMBL4628439 0.72 SCN2A (1.00) SCN2ASCN5AKMT2AMEN1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1918272-A1 Pharmaceutically active compounds and methods of use Wyeth a Corporation of the State of Delaware (US) 2008-05-07 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 1196/4885KMT2A 3245/4885

“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.