SCHEMBL4627554

SCHEMBL4627554

NC(=NCc1ccccc1)NC(=O)c1ccc(Cl)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 7/20 0.75
SCN5A Q14524 6/20 0.70
TPH1 P17752 3/20 0.67
NPC1 O15118 3/20 0.64
RAB9A P51151 2/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
MALT1 Q9UDY8 3/20 0.61
GRIN2B Q13224 1/20 0.61
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 2/20 0.58
GLA P06280 2/20 0.58
HPGD P15428 2/20 0.58
HSD17B10 Q99714 2/20 0.58
CYP1A2 P05177 1/20 0.58
GAA P10253 1/20 0.58
CYP2D6 P10635 1/20 0.58
MAPT P10636 1/20 0.58
NFKB1 P19838 1/20 0.58
SCNN1A P37088 1/20 0.58

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
SCHEMBL4629035 0.86 SCN2A (0.83) SCN2ASCN5ANPC1RAB9AMEN1
SCHEMBL4628365 0.86 SCN2A (1.00) SCN2ASCN5ATPH1MEN1KMT2A
SCHEMBL4628735 0.85 SCN2A (0.72) SCN2ASCN5ATPH1NPC1RAB9A
SCHEMBL4628688 0.83 SCN5A (1.00) SCN2ASCN5ASCNN1A
SCHEMBL4628794 0.82 SCN2A (0.74) SCN2ASCN5ATPH1NPC1RAB9A
SCHEMBL4628993 0.81 SCN2A (0.79) SCN2ASCN5ANPC1RAB9AMEN1
SCHEMBL18690745 0.78 SCN2A (0.63) SCN2ATPH1NPC1MALT1GRIN2B
SCHEMBL18690743 0.78 SCN2A (0.63) SCN2ATPH1NPC1MALT1GRIN2B
SCHEMBL4628518 0.77 SCN2A (0.60) SCN2ASCN5ATPH1NPC1RAB9A
SCHEMBL28555938 0.74 CES2 (0.65) NPC1RAB9AMEN1KMT2AKDM4E

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 1196/4885TPH1 1019/4885

“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.